 Entering Gaussian System, Link 0=g16
 Input=36c_RhEn3-lelob2_STD_wB97XD-augccpVDZr.in
 Output=36c_RhEn3-lelob2_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/36c_RhEn3-lelob2_STD/Gau-2050.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/36c_RhEn3-lelob2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2052.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36c_RhEn3-lelob2_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 00:29:39 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36c_RhEn3-lelob2_STD_wB97XD-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.882333000000      0.078868000000     -0.751096000000
  C                                                -2.883637000000     -0.089617000000      0.748561000000
  N                                                -1.604578000000     -0.773888000000      1.152492000000
  Rh                                                0.000181000000      0.000116000000      0.000562000000
  N                                                 1.496894000000      0.977942000000     -1.143379000000
  C                                                 2.016113000000      2.164980000000     -0.376616000000
  C                                                 0.851421000000      2.839270000000      0.306893000000
  N                                                 0.108865000000      1.805044000000      1.109170000000
  N                                                -1.605762000000      0.769395000000     -1.151895000000
  N                                                 1.498354000000     -0.974746000000      1.144883000000
  C                                                 2.023540000000     -2.157905000000      0.376178000000
  C                                                 0.862316000000     -2.836237000000     -0.309308000000
  N                                                 0.114723000000     -1.803750000000     -1.109148000000
  H                                                 2.746689000000      1.805009000000      0.348651000000
  H                                                 2.534073000000      2.852953000000     -1.045694000000
  H                                                 0.159478000000      3.264331000000     -0.421261000000
  H                                                 1.187267000000      3.652750000000      0.950911000000
  H                                                 0.172399000000     -3.266690000000      0.417566000000
  H                                                 1.202417000000     -3.646338000000     -0.955343000000
  H                                                 2.752960000000     -1.793209000000     -0.347870000000
  H                                                 2.544317000000     -2.844721000000      1.044258000000
  H                                                 2.285191000000     -0.385753000000      1.415804000000
  H                                                 1.112276000000     -1.308266000000      2.028366000000
  H                                                -0.783947000000     -2.191995000000     -1.394149000000
  H                                                 0.611614000000     -1.648380000000     -1.986518000000
  H                                                -1.721936000000      1.772878000000     -1.012515000000
  H                                                -1.479542000000      0.662744000000     -2.158404000000
  H                                                -0.791007000000      2.190068000000      1.394742000000
  H                                                 0.607425000000      1.652565000000      1.986087000000
  H                                                 2.286557000000      0.391334000000     -1.411120000000
  H                                                 1.111518000000      1.307831000000     -2.028554000000
  H                                                -2.916638000000     -0.885119000000     -1.259574000000
  H                                                -3.746888000000      0.653215000000     -1.085607000000
  H                                                -3.746060000000     -0.668259000000      1.081160000000
  H                                                -2.923915000000      0.874214000000      1.256925000000
  H                                                -1.480078000000     -0.664291000000      2.158900000000
  H                                                -1.716296000000     -1.778222000000      1.015422000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 00:29:40 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078868   -0.751096
      2          6           0       -2.883637   -0.089617    0.748561
      3          7           0       -1.604578   -0.773888    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496894    0.977942   -1.143379
      6          6           0        2.016113    2.164980   -0.376616
      7          6           0        0.851421    2.839270    0.306893
      8          7           0        0.108865    1.805044    1.109170
      9          7           0       -1.605762    0.769395   -1.151895
     10          7           0        1.498354   -0.974746    1.144883
     11          6           0        2.023540   -2.157905    0.376178
     12          6           0        0.862316   -2.836237   -0.309308
     13          7           0        0.114723   -1.803750   -1.109148
     14          1           0        2.746689    1.805009    0.348651
     15          1           0        2.534073    2.852953   -1.045694
     16          1           0        0.159478    3.264331   -0.421261
     17          1           0        1.187267    3.652750    0.950911
     18          1           0        0.172399   -3.266690    0.417566
     19          1           0        1.202417   -3.646338   -0.955343
     20          1           0        2.752960   -1.793209   -0.347870
     21          1           0        2.544317   -2.844721    1.044258
     22          1           0        2.285191   -0.385753    1.415804
     23          1           0        1.112276   -1.308266    2.028366
     24          1           0       -0.783947   -2.191995   -1.394149
     25          1           0        0.611614   -1.648380   -1.986518
     26          1           0       -1.721936    1.772878   -1.012515
     27          1           0       -1.479542    0.662744   -2.158404
     28          1           0       -0.791007    2.190068    1.394742
     29          1           0        0.607425    1.652565    1.986087
     30          1           0        2.286557    0.391334   -1.411120
     31          1           0        1.111518    1.307831   -2.028554
     32          1           0       -2.916638   -0.885119   -1.259574
     33          1           0       -3.746888    0.653215   -1.085607
     34          1           0       -3.746060   -0.668259    1.081160
     35          1           0       -2.923915    0.874214    1.256925
     36          1           0       -1.480078   -0.664291    2.158900
     37          1           0       -1.716296   -1.778222    1.015422
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509092   0.000000
     3  N    2.446119   1.505782   0.000000
     4  Rh   2.979946   2.980597   2.121621   0.000000
     5  N    4.487744   4.889598   4.237813   2.122474   0.000000
     6  C    5.337309   5.509699   4.907598   2.982093   1.505514
     7  C    4.762361   4.766981   4.449930   2.979806   2.446317
     8  N    3.922695   3.560175   3.096555   2.120988   2.772129
     9  N    1.505690   2.445935   2.773432   2.121085   3.109669
    10  N    4.888278   4.488025   3.109435   2.122345   3.008178
    11  C    5.508311   5.338246   3.959976   2.981966   3.524194
    12  C    4.766069   4.763945   3.532097   2.980637   3.955544
    13  N    3.557358   3.921670   3.021858   2.120969   3.106345
    14  H    5.989566   5.953999   5.121562   3.304862   2.114753
    15  H    6.092601   6.421032   5.925743   3.956506   2.144982
    16  H    4.416852   4.677392   4.679295   3.295210   2.745489
    17  H    5.677244   5.533400   5.237381   3.956523   3.411234
    18  H    4.678666   4.420713   3.148305   3.297813   4.712509
    19  H    5.532094   5.678855   4.535764   3.956735   4.637460
    20  H    5.951789   5.989625   4.719983   3.303818   3.144808
    21  H    6.420218   6.094319   4.638253   3.956643   4.527207
    22  H    5.622689   5.220124   3.917944   2.715341   3.005078
    23  H    5.060282   4.369248   2.904137   2.657180   3.928695
    24  H    3.158094   3.663318   3.028175   2.713932   3.913262
    25  H    4.088682   4.703954   3.940765   2.653277   2.896924
    26  H    2.069911   2.814218   3.344704   2.671085   3.318119
    27  H    2.071050   3.314812   3.611312   2.699961   3.160506
    28  H    3.665437   3.161268   3.083118   2.713965   3.625714
    29  H    4.706071   4.093187   3.387553   2.653609   3.322624
    30  H    5.220219   5.623739   4.803205   2.715403   1.019491
    31  H    4.369565   5.062262   4.672236   2.657536   1.020233
    32  H    1.090412   2.160213   2.748079   3.298396   4.792052
    33  H    1.090517   2.158975   3.411041   3.955607   5.254145
    34  H    2.159024   1.090515   2.145272   3.955849   5.928500
    35  H    2.160197   1.090425   2.113716   3.300429   5.031478
    36  H    3.314616   2.071059   1.019985   2.700190   4.739656
    37  H    2.815850   2.070093   1.019782   2.671838   4.751995
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509423   0.000000
     8  N    2.444322   1.504879   0.000000
     9  N    3.958117   3.528483   3.020750   0.000000
    10  N    3.527168   3.958215   3.107923   4.237069   0.000000
    11  C    4.387948   5.133266   4.461863   4.906722   1.505521
    12  C    5.133025   5.708870   4.911340   4.449938   2.446296
    13  N    4.461245   4.909738   4.236079   3.095637   2.771703
    14  H    1.090565   2.159509   2.745269   4.718894   3.149502
    15  H    1.090530   2.158934   3.409279   4.635809   4.530190
    16  H    2.158161   1.090720   2.115254   3.142388   4.713297
    17  H    2.159346   1.090551   2.145231   4.531726   4.641995
    18  H    5.790772   6.144597   5.119066   4.681351   2.745934
    19  H    5.896477   6.616612   5.930905   5.236717   3.411148
    20  H    4.026292   5.050191   4.696981   5.119751   2.114765
    21  H    5.234022   5.976400   5.249377   5.925207   2.144987
    22  H    3.129123   3.699480   3.103226   4.802808   1.019521
    23  H    4.320220   4.498174   3.397713   4.671024   1.020213
    24  H    5.278157   5.557122   4.800004   3.082839   3.624538
    25  H    4.371054   5.045418   4.664995   3.385113   3.323517
    26  H    3.811971   3.082239   2.802573   1.019756   4.751218
    27  H    4.201319   4.030923   3.808533   1.019983   4.739298
    28  H    3.319377   2.074234   1.019590   3.027788   3.914033
    29  H    2.798095   2.070627   1.020194   3.940193   2.898990
    30  H    2.071028   3.317164   3.618395   3.919219   3.003430
    31  H    2.069274   2.804865   3.331343   2.905521   3.928168
    32  H    5.866409   5.524777   4.690586   2.113624   5.028081
    33  H    6.000024   5.278479   4.583731   2.145300   5.927724
    34  H    6.584451   5.834302   4.580225   3.410903   5.253748
    35  H    5.360822   4.360868   3.175851   2.747895   4.794546
    36  H    5.163039   4.597908   3.118379   3.610071   3.161593
    37  H    5.605131   5.330705   4.022412   3.346615   3.316068
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509459   0.000000
    13  N    2.444423   1.504882   0.000000
    14  H    4.028448   5.052221   4.698464   0.000000
    15  H    5.233647   5.975276   5.248063   1.757154   0.000000
    16  H    5.788893   6.141941   5.114747   3.068558   2.489548
    17  H    5.898592   6.618210   5.930226   2.491718   2.537714
    18  H    2.158203   1.090698   2.115272   5.688044   6.720764
    19  H    2.159311   1.090547   2.145196   5.813980   6.634927
    20  H    1.090551   2.159613   2.745897   3.665018   4.703370
    21  H    1.090530   2.159014   3.409356   4.705828   6.068896
    22  H    2.071185   3.317447   3.618982   2.480168   4.075553
    23  H    2.069303   2.803907   3.329356   3.896823   5.365361
    24  H    3.319217   2.074153   1.019592   5.610596   6.048320
    25  H    2.799193   2.070480   1.020205   4.683744   4.984275
    26  H    5.604294   5.330741   4.021806   4.671447   4.391045
    27  H    5.162533   4.598513   3.118687   5.044911   4.705767
    28  H    5.278638   5.558867   4.800041   3.709160   4.177475
    29  H    4.372284   5.048084   4.665763   2.698312   3.787427
    30  H    3.124457   3.695899   3.102651   2.303691   2.500874
    31  H    4.315767   4.493463   3.394237   2.927810   2.318853
    32  H    5.357334   4.357793   3.171066   6.472747   6.612804
    33  H    6.583088   5.832982   4.577037   6.749094   6.655142
    34  H    6.000361   5.279267   4.581750   6.986373   7.507497
    35  H    5.869137   5.527755   4.690748   5.817825   6.245566
    36  H    4.205273   4.036856   3.810760   5.219196   6.225258
    37  H    3.813026   3.086024   2.804832   5.762149   6.615256
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757861   0.000000
    18  H    6.584682   7.013777   0.000000
    19  H    7.009302   7.543919   1.757825   0.000000
    20  H    5.684210   5.813493   3.068605   2.491444   0.000000
    21  H    6.719801   6.638330   2.489336   2.538048   1.757051
    22  H    4.606146   4.210828   3.709470   4.174464   2.304406
    23  H    5.274196   5.077225   2.704343   3.791731   2.928056
    24  H    5.622104   6.598942   2.313413   2.500661   3.709911
    25  H    5.175827   6.087844   2.931119   2.324695   2.700279
    26  H    2.472596   3.981510   5.570537   6.158166   5.760506
    27  H    3.531615   5.071474   4.980460   5.216172   5.217644
    28  H    2.314159   2.499999   5.626654   6.600021   5.609179
    29  H    2.931513   2.325628   5.181561   6.089696   4.682311
    30  H    3.709231   4.174262   4.603791   4.205459   2.473916
    31  H    2.705118   3.792307   5.271782   5.069895   3.890434
    32  H    5.232895   6.505424   4.245801   4.968249   5.813792
    33  H    4.745416   6.122949   5.743344   6.557343   6.984073
    34  H    5.742452   6.559405   4.748318   6.124028   6.748696
    35  H    4.246914   4.971491   5.238203   6.508159   6.474367
    36  H    4.977896   5.216398   3.540537   5.078080   5.047471
    37  H    5.568656   6.158758   2.477930   3.986560   4.672584
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.500343   0.000000
    23  H    2.319462   1.613069   0.000000
    24  H    4.177226   4.536293   4.011265   0.000000
    25  H    3.788427   3.996359   4.060250   1.610593   0.000000
    26  H    6.614639   5.158826   5.174279   4.092149   4.254309
    27  H    6.225014   5.295991   5.303908   3.036029   3.121502
    28  H    6.049490   4.012268   4.032655   5.194270   5.304144
    29  H    4.986399   2.700900   3.003861   5.304956   5.165060
    30  H    4.070304   2.931785   4.012186   4.012714   2.701287
    31  H    5.360856   4.013644   4.827273   4.030389   2.998475
    32  H    6.242572   5.870778   5.217447   2.504876   3.682333
    33  H    7.506740   6.612298   6.095548   4.119398   5.010541
    34  H    6.656365   6.047130   4.991016   4.150065   5.418543
    35  H    6.616439   5.361674   4.652868   4.583590   5.420643
    36  H    4.710887   3.847990   2.674330   3.929712   4.746377
    37  H    4.392161   4.255722   3.041009   2.616585   3.801009
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613758   0.000000
    28  H    2.614491   3.928313   0.000000
    29  H    3.798949   4.744679   1.610655   0.000000
    30  H    4.258587   3.849104   4.536486   3.993896   0.000000
    31  H    3.045828   2.673311   4.014586   4.060824   1.613043
    32  H    2.924602   2.295435   4.584809   5.421547   5.359621
    33  H    2.315042   2.508354   4.153466   5.421628   6.047892
    34  H    3.799961   4.171744   4.123191   5.015770   6.612614
    35  H    2.720792   3.714217   2.509933   3.688885   5.873726
    36  H    4.007014   4.516651   3.034159   3.123356   5.295935
    37  H    4.089361   4.010927   4.092355   4.255839   5.159255
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.650419   0.000000
    33  H    4.992172   1.756716   0.000000
    34  H    6.096828   2.492791   2.537947   0.000000
    35  H    5.221792   3.070517   2.492706   1.756712   0.000000
    36  H    5.304753   3.714624   4.171460   2.509226   2.294607
    37  H    5.175524   2.722877   3.801251   2.314364   2.924395
                   36         37
    36  H    0.000000
    37  H    1.613748   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.02D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078865   -0.751096
      2          6           0       -2.883637   -0.089620    0.748561
      3          7           0       -1.604577   -0.773890    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496893    0.977944   -1.143379
      6          6           0        2.016110    2.164982   -0.376616
      7          6           0        0.851418    2.839271    0.306893
      8          7           0        0.108863    1.805044    1.109170
      9          7           0       -1.605763    0.769393   -1.151895
     10          7           0        1.498355   -0.974744    1.144883
     11          6           0        2.023542   -2.157903    0.376178
     12          6           0        0.862319   -2.836236   -0.309308
     13          7           0        0.114725   -1.803750   -1.109148
     14          1           0        2.746687    1.805012    0.348651
     15          1           0        2.534070    2.852956   -1.045694
     16          1           0        0.159474    3.264331   -0.421261
     17          1           0        1.187263    3.652751    0.950911
     18          1           0        0.172403   -3.266690    0.417566
     19          1           0        1.202421   -3.646337   -0.955343
     20          1           0        2.752962   -1.793206   -0.347870
     21          1           0        2.544320   -2.844718    1.044258
     22          1           0        2.285191   -0.385750    1.415804
     23          1           0        1.112277   -1.308265    2.028366
     24          1           0       -0.783944   -2.191996   -1.394149
     25          1           0        0.611616   -1.648379   -1.986518
     26          1           0       -1.721938    1.772876   -1.012515
     27          1           0       -1.479543    0.662742   -2.158404
     28          1           0       -0.791010    2.190067    1.394742
     29          1           0        0.607423    1.652566    1.986087
     30          1           0        2.286556    0.391337   -1.411120
     31          1           0        1.111516    1.307832   -2.028554
     32          1           0       -2.916637   -0.885122   -1.259574
     33          1           0       -3.746889    0.653211   -1.085607
     34          1           0       -3.746059   -0.668263    1.081160
     35          1           0       -2.923916    0.874211    1.256925
     36          1           0       -1.480077   -0.664293    2.158900
     37          1           0       -1.716294   -1.778224    1.015422
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7085492           0.6964051           0.4626614
 Leave Link  202 at Fri Jul  9 00:29:40 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.3219182307 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0396239777 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.2822942529 Hartrees.
 Leave Link  301 at Fri Jul  9 00:29:43 2021, MaxMem= 10737418240 cpu:              41.7 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29880 LenP2D=  115104.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.19D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul  9 00:29:45 2021, MaxMem= 10737418240 cpu:              30.9 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 00:29:46 2021, MaxMem= 10737418240 cpu:               3.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36c_RhEn3-lelob2_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 00:29:48 2021, MaxMem= 10737418240 cpu:              23.0 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.884176646678    
 DIIS: error= 6.03D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.884176646678     IErMin= 1 ErrMin= 6.03D-02
 ErrMax= 6.03D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.78D-02 BMatP= 8.78D-02
 IDIUse=3 WtCom= 3.97D-01 WtEn= 6.03D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 GapD=    0.385 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=2.63D-02 MaxDP=9.64D+00              OVMax= 2.03D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.13D-03    CP:  1.17D+00
 E= -680.887620537929     Delta-E=       -0.003443891251 Rises=F Damp=T
 DIIS: error= 4.54D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.887620537929     IErMin= 2 ErrMin= 4.54D-02
 ErrMax= 4.54D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-02 BMatP= 8.78D-02
 IDIUse=3 WtCom= 5.46D-01 WtEn= 4.54D-01
 Coeff-Com: -0.297D+01 0.397D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.162D+01 0.262D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.37D-02 MaxDP=8.82D+00 DE=-3.44D-03 OVMax= 8.89D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.26D-03    CP:  1.78D+00  3.00D+00
 E= -680.898231730412     Delta-E=       -0.010611192483 Rises=F Damp=F
 DIIS: error= 1.40D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.898231730412     IErMin= 3 ErrMin= 1.40D-03
 ErrMax= 1.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.11D-04 BMatP= 4.99D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.40D-02
 Coeff-Com: -0.124D+01 0.164D+01 0.602D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.122D+01 0.162D+01 0.607D+00
 Gap=     0.389 Goal=   None    Shift=    0.000
 RMSDP=8.07D-04 MaxDP=2.68D-01 DE=-1.06D-02 OVMax= 7.93D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.73D-04    CP:  1.80D+00  3.00D+00  1.07D+00
 E= -680.898831347482     Delta-E=       -0.000599617070 Rises=F Damp=F
 DIIS: error= 2.61D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.898831347482     IErMin= 4 ErrMin= 2.61D-04
 ErrMax= 2.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.61D-05 BMatP= 8.11D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.61D-03
 Coeff-Com:  0.190D-01-0.280D-01 0.192D+00 0.817D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.190D-01-0.279D-01 0.191D+00 0.818D+00
 Gap=     0.389 Goal=   None    Shift=    0.000
 RMSDP=5.29D-04 MaxDP=2.04D-01 DE=-6.00D-04 OVMax= 1.24D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.02D-04    CP:  1.82D+00  3.00D+00  1.12D+00  7.81D-01
 E= -680.898873732443     Delta-E=       -0.000042384961 Rises=F Damp=F
 DIIS: error= 3.44D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.898873732443     IErMin= 5 ErrMin= 3.44D-05
 ErrMax= 3.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-06 BMatP= 5.61D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D+00-0.206D+00-0.645D-02 0.213D+00 0.844D+00
 Coeff:      0.155D+00-0.206D+00-0.645D-02 0.213D+00 0.844D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.39D-04 MaxDP=5.38D-02 DE=-4.24D-05 OVMax= 4.07D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.80D-05    CP:  1.82D+00  3.00D+00  1.13D+00  7.36D-01  1.23D+00
 E= -680.898876174157     Delta-E=       -0.000002441713 Rises=F Damp=F
 DIIS: error= 1.43D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.898876174157     IErMin= 6 ErrMin= 1.43D-05
 ErrMax= 1.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-07 BMatP= 1.96D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.503D-01-0.666D-01-0.155D-01 0.929D-02 0.326D+00 0.697D+00
 Coeff:      0.503D-01-0.666D-01-0.155D-01 0.929D-02 0.326D+00 0.697D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.79D-06 MaxDP=2.50D-03 DE=-2.44D-06 OVMax= 1.60D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.67D-06    CP:  1.82D+00  3.00D+00  1.13D+00  7.37D-01  1.26D+00
                    CP:  9.25D-01
 E= -680.898876487597     Delta-E=       -0.000000313441 Rises=F Damp=F
 DIIS: error= 4.10D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.898876487597     IErMin= 7 ErrMin= 4.10D-06
 ErrMax= 4.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-08 BMatP= 2.83D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-01 0.161D-01-0.246D-03-0.299D-01-0.480D-01 0.122D+00
 Coeff-Com:  0.952D+00
 Coeff:     -0.121D-01 0.161D-01-0.246D-03-0.299D-01-0.480D-01 0.122D+00
 Coeff:      0.952D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.87D-06 MaxDP=1.16D-03 DE=-3.13D-07 OVMax= 5.30D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.10D-06    CP:  1.82D+00  3.00D+00  1.13D+00  7.28D-01  1.27D+00
                    CP:  9.28D-01  9.79D-01
 E= -680.898876514978     Delta-E=       -0.000000027380 Rises=F Damp=F
 DIIS: error= 1.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.898876514978     IErMin= 8 ErrMin= 1.14D-06
 ErrMax= 1.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-09 BMatP= 1.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.704D-02 0.935D-02 0.794D-03-0.130D-01-0.374D-01 0.403D-02
 Coeff-Com:  0.325D+00 0.718D+00
 Coeff:     -0.704D-02 0.935D-02 0.794D-03-0.130D-01-0.374D-01 0.403D-02
 Coeff:      0.325D+00 0.718D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.74D-06 MaxDP=6.78D-04 DE=-2.74D-08 OVMax= 1.01D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.53D-07    CP:  1.82D+00  3.00D+00  1.13D+00  7.27D-01  1.27D+00
                    CP:  9.37D-01  1.01D+00  1.02D+00
 E= -680.898876517160     Delta-E=       -0.000000002183 Rises=F Damp=F
 DIIS: error= 2.39D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.898876517160     IErMin= 9 ErrMin= 2.39D-07
 ErrMax= 2.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.12D-11 BMatP= 1.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.252D-03 0.333D-03 0.264D-03-0.661D-04-0.268D-02-0.874D-02
 Coeff-Com: -0.212D-01 0.148D+00 0.884D+00
 Coeff:     -0.252D-03 0.333D-03 0.264D-03-0.661D-04-0.268D-02-0.874D-02
 Coeff:     -0.212D-01 0.148D+00 0.884D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.45D-07 MaxDP=1.65D-04 DE=-2.18D-09 OVMax= 2.98D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.03D-07    CP:  1.82D+00  3.00D+00  1.13D+00  7.26D-01  1.27D+00
                    CP:  9.37D-01  1.00D+00  1.09D+00  9.70D-01
 E= -680.898876517130     Delta-E=        0.000000000030 Rises=F Damp=F
 DIIS: error= 4.94D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -680.898876517160     IErMin=10 ErrMin= 4.94D-08
 ErrMax= 4.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-12 BMatP= 8.12D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.270D-03-0.359D-03 0.162D-04 0.611D-03 0.123D-02-0.218D-02
 Coeff-Com: -0.198D-01-0.111D-02 0.167D+00 0.855D+00
 Coeff:      0.270D-03-0.359D-03 0.162D-04 0.611D-03 0.123D-02-0.218D-02
 Coeff:     -0.198D-01-0.111D-02 0.167D+00 0.855D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.97D-08 MaxDP=2.48D-05 DE= 3.02D-11 OVMax= 8.46D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.77D-08    CP:  1.82D+00  3.00D+00  1.13D+00  7.26D-01  1.27D+00
                    CP:  9.37D-01  1.00D+00  1.10D+00  9.73D-01  1.16D+00
 E= -680.898876517280     Delta-E=       -0.000000000150 Rises=F Damp=F
 DIIS: error= 3.77D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.898876517280     IErMin=11 ErrMin= 3.77D-08
 ErrMax= 3.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-12 BMatP= 3.20D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-03-0.215D-03-0.271D-04 0.316D-03 0.948D-03-0.413D-04
 Coeff-Com: -0.721D-02-0.185D-01-0.253D-01 0.449D+00 0.601D+00
 Coeff:      0.162D-03-0.215D-03-0.271D-04 0.316D-03 0.948D-03-0.413D-04
 Coeff:     -0.721D-02-0.185D-01-0.253D-01 0.449D+00 0.601D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=9.86D-09 MaxDP=1.89D-06 DE=-1.50D-10 OVMax= 4.49D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.42D-09    CP:  1.82D+00  3.00D+00  1.13D+00  7.26D-01  1.27D+00
                    CP:  9.37D-01  1.00D+00  1.10D+00  9.73D-01  1.19D+00
                    CP:  8.58D-01
 E= -680.898876517288     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 2.08D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -680.898876517288     IErMin=12 ErrMin= 2.08D-08
 ErrMax= 2.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.81D-14 BMatP= 1.72D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.385D-04 0.512D-04-0.563D-05-0.812D-04-0.154D-03 0.359D-03
 Coeff-Com:  0.294D-02-0.779D-03-0.268D-01-0.110D+00 0.206D-01 0.111D+01
 Coeff:     -0.385D-04 0.512D-04-0.563D-05-0.812D-04-0.154D-03 0.359D-03
 Coeff:      0.294D-02-0.779D-03-0.268D-01-0.110D+00 0.206D-01 0.111D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=4.05D-06 DE=-8.41D-12 OVMax= 4.42D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.85D-09    CP:  1.82D+00  3.00D+00  1.13D+00  7.26D-01  1.27D+00
                    CP:  9.37D-01  1.00D+00  1.10D+00  9.71D-01  1.19D+00
                    CP:  9.30D-01  1.22D+00
 E= -680.898876517131     Delta-E=        0.000000000157 Rises=F Damp=F
 DIIS: error= 1.03D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -680.898876517288     IErMin=13 ErrMin= 1.03D-08
 ErrMax= 1.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-14 BMatP= 8.81D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-04 0.188D-04 0.662D-05-0.309D-04-0.108D-03-0.772D-04
 Coeff-Com:  0.347D-03 0.290D-02 0.988D-02-0.427D-01-0.972D-01-0.263D+00
 Coeff-Com:  0.139D+01
 Coeff:     -0.142D-04 0.188D-04 0.662D-05-0.309D-04-0.108D-03-0.772D-04
 Coeff:      0.347D-03 0.290D-02 0.988D-02-0.427D-01-0.972D-01-0.263D+00
 Coeff:      0.139D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.40D-09 MaxDP=6.94D-07 DE= 1.57D-10 OVMax= 3.08D-07

 SCF Done:  E(RwB97XD) =  -680.898876517     A.U. after   13 cycles
            NFock= 13  Conv=0.24D-08     -V/T= 2.1213
 KE= 6.072249020218D+02 PE=-3.904513225386D+03 EE= 1.418107152594D+03
 Leave Link  502 at Fri Jul  9 00:49:26 2021, MaxMem= 10737418240 cpu:           18821.5 elap:            1177.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.20623502D+03

 Leave Link  801 at Fri Jul  9 00:49:27 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 3.35D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.50D-01 6.06D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 4.67D-02 6.71D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 7.14D-03 1.87D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 1.04D-03 8.82D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 1.28D-04 4.27D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 2.82D-05 1.66D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 2.22D-06 1.78D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 8.02D-08 5.17D-05.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 2.38D-09 1.37D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 8.05D-11 2.53D-06.
     10 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 2.33D-12 3.71D-07.
      4 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 8.52D-14 8.86D-08.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 1.21D-14 1.94D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.24D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.154454D+03
      2 -0.146107D-03  0.152996D+03
      3 -0.194935D-02  0.818091D-01  0.122213D+03
 Isotropic polarizability for W=    0.085645      143.22 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.854936D+02 -0.504390D+00  0.182836D-01
      2   0.917822D+02  0.535739D+00  0.119638D-01
      3  -0.628862D+01 -0.313493D-01 -0.302474D-01
      4  -0.523855D+00  0.945711D+02 -0.489103D+01
      5  -0.644791D-01  0.195898D+01 -0.947327D+01
      6  -0.101807D+02 -0.733165D-01 -0.542389D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.863768D+00 -0.466891D-01  0.259331D-02
      2  -0.210749D-01  0.490432D+01 -0.210515D+01
      3  -0.183163D-01 -0.172886D+01 -0.652351D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.685001D+01 -0.852804D-01  0.228897D-01
      2   0.827627D-01  0.528966D+01 -0.318465D+01
      3  -0.194652D-01 -0.278889D+01 -0.121397D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.902908D+00  0.166263D-01  0.435882D-02
      2   0.166263D-01 -0.150746D+01  0.211809D+00
      3   0.435882D-02  0.211809D+00 -0.150871D+00
 OR G Eigenvalues:    -1.5399    -0.1186     0.9031  Iso=     0.2518
 Eigenvectors:
   (1)  -0.006459   0.988555  -0.150725
   (2)  -0.006671   0.150683   0.988560
   (3)   0.999957   0.007391   0.005621
 w=    0.085645 a.u., Optical Rotation Beta=      0.2518 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =       42.17 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 1.86D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.41D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.87D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 6.66D-01 3.93D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.24D-02 2.42D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 2.14D-04 2.44D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 7.98D-06 3.27D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 1.07D-07 5.41D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 1.26D-09 5.08D-06.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 1.58D-11 5.03D-07.
     30 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 1.80D-13 5.15D-08.
      8 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 4.11D-15 5.84D-09.
      1 vectors produced by pass 10 Test12= 7.86D-14 2.78D-09 XBig12= 9.95D-16 2.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   279 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.07D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.07D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.66D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154454D+03 -0.146107D-03 -0.194935D-02
      2  -0.146107D-03  0.152996D+03  0.818091D-01
      3  -0.194935D-02  0.818091D-01  0.122213D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.863768D+00 -0.466891D-01  0.259331D-02
      2  -0.210749D-01  0.490432D+01 -0.210515D+01
      3  -0.183163D-01 -0.172886D+01 -0.652351D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.854936D+02 -0.504390D+00  0.182836D-01
      2   0.917822D+02  0.535739D+00  0.119638D-01
      3  -0.628862D+01 -0.313493D-01 -0.302474D-01
      4  -0.523855D+00  0.945711D+02 -0.489103D+01
      5  -0.644791D-01  0.195898D+01 -0.947327D+01
      6  -0.101807D+02 -0.733165D-01 -0.542389D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.342099D+01 -0.384514D+01  0.308013D+01 -0.575388D+01  0.121793D+01
      2  -0.384514D+01  0.736227D+00 -0.414226D+00  0.121793D+01  0.274911D+01
      3   0.308013D+01 -0.414226D+00  0.717040D+00 -0.123025D+01  0.285019D+01
                 6             7             8             9            10 
      1  -0.123025D+01  0.263243D+01 -0.705564D+00  0.996655D+00  0.336408D+01
      2   0.285019D+01 -0.705564D+00  0.222086D+01  0.709389D+00  0.384506D+01
      3   0.626176D+00  0.996655D+00  0.709389D+00 -0.735764D+00 -0.306843D+01
                11            12            13            14            15 
      1   0.384506D+01 -0.306843D+01  0.576041D+01  0.128044D+01 -0.122038D+01
      2   0.790172D+00 -0.403869D+00  0.128044D+01 -0.273615D+01 -0.285444D+01
      3  -0.403869D+00  0.704557D+00 -0.122038D+01 -0.285444D+01 -0.623484D+00
                16            17            18            19            20 
      1  -0.262274D+01 -0.696022D+00  0.989108D+00 -0.746857D+01 -0.437112D+01
      2  -0.696022D+00 -0.222411D+01 -0.704816D+00 -0.437112D+01 -0.124203D+01
      3   0.989108D+00 -0.704816D+00  0.736713D+00  0.460308D+01  0.118190D+01
                21            22            23            24            25 
      1   0.460308D+01 -0.179623D+01 -0.492763D+00  0.177681D+00  0.299315D+01
      2   0.118190D+01 -0.492763D+00  0.165172D+01  0.131950D+01  0.103573D+01
      3  -0.190717D+01  0.177681D+00  0.131950D+01 -0.722266D+00 -0.177404D+01
                26            27            28            29            30 
      1   0.103573D+01 -0.177404D+01  0.139438D+01  0.621598D-02  0.785153D-02
      2   0.171376D+01 -0.929723D+00  0.621598D-02 -0.156180D+01 -0.158744D+01
      3  -0.929723D+00 -0.169863D+01  0.785153D-02 -0.158744D+01  0.204148D+00
                31            32            33            34            35 
      1   0.295322D-02 -0.159514D+01  0.178095D+01  0.122734D-01 -0.105108D+00
      2  -0.159514D+01 -0.973595D-02 -0.918614D-03 -0.105108D+00  0.126629D-01
      3   0.178095D+01 -0.918614D-03  0.348244D-03  0.153749D+00  0.629467D-04
                36            37            38            39            40 
      1   0.153749D+00  0.441531D+01  0.351284D+01 -0.162399D+01  0.537078D+01
      2   0.629467D-04  0.351284D+01  0.106752D+01 -0.288409D+01  0.281911D+01
      3   0.318952D-02 -0.162399D+01 -0.288409D+01  0.174231D+01 -0.343708D+01
                41            42            43            44            45 
      1   0.281911D+01 -0.343708D+01 -0.136688D+01 -0.192889D+01  0.223652D+01
      2   0.249710D+01 -0.242472D+01 -0.192889D+01 -0.144271D+01 -0.204425D+00
      3  -0.242472D+01  0.398227D+00  0.223652D+01 -0.204425D+00  0.660100D+00
                46            47            48            49            50 
      1  -0.252445D+01 -0.959263D+00 -0.392462D+00 -0.183604D+01 -0.183221D+01
      2  -0.959263D+00 -0.803134D+00  0.313493D+01 -0.183221D+01 -0.916897D+00
      3  -0.392462D+00  0.313493D+01 -0.176092D+01  0.311942D+01  0.249718D+01
                51            52            53            54            55 
      1   0.311942D+01  0.125811D+00  0.448614D+01 -0.272711D+01  0.612544D+00
      2   0.249718D+01  0.448614D+01  0.327472D+01 -0.757426D+00 -0.610357D+00
      3  -0.126945D+00 -0.272711D+01 -0.757426D+00  0.329124D+00  0.102124D+01
                56            57            58            59            60 
      1  -0.610357D+00  0.102124D+01 -0.199547D+00 -0.229041D+00 -0.280619D+01
      2  -0.145976D+01 -0.273139D+01 -0.229041D+00 -0.444470D+01 -0.308211D+01
      3  -0.273139D+01  0.891104D+00 -0.280619D+01 -0.308211D+01 -0.137179D+01
                61            62            63            64            65 
      1   0.154402D+01 -0.348902D+01  0.844129D+00  0.122588D+01  0.420108D-01
      2  -0.348902D+01 -0.474151D+01 -0.245291D+01  0.420108D-01  0.298039D+01
      3   0.844129D+00 -0.245291D+01 -0.184085D+00 -0.647584D+00  0.215078D+01
                66            67            68            69            70 
      1  -0.647584D+00 -0.530655D+00  0.522037D+00  0.162795D+01 -0.412875D+00
      2   0.215078D+01  0.522037D+00  0.962189D+01  0.442761D+01  0.105576D+01
      3  -0.607423D+00  0.162795D+01  0.442761D+01  0.147014D+01 -0.131069D+01
                71            72            73            74            75 
      1   0.105576D+01 -0.131069D+01 -0.750091D+01  0.435831D+01 -0.460838D+01
      2   0.302022D+01  0.172405D+01  0.435831D+01 -0.120309D+01  0.117996D+01
      3   0.172405D+01 -0.647362D+00 -0.460838D+01  0.117996D+01 -0.192351D+01
                76            77            78            79            80 
      1   0.177565D+01 -0.463105D+00  0.169469D+00 -0.300531D+01  0.104375D+01
      2  -0.463105D+00 -0.165590D+01 -0.132375D+01  0.104375D+01 -0.171902D+01
      3   0.169469D+00 -0.132375D+01  0.705967D+00 -0.179162D+01  0.917071D+00
                81            82            83            84            85 
      1  -0.179162D+01  0.445056D+01 -0.350592D+01  0.163707D+01 -0.536890D+01
      2   0.917071D+00 -0.350592D+01  0.106244D+01 -0.289988D+01  0.280971D+01
      3   0.169686D+01  0.163707D+01 -0.289988D+01  0.173754D+01 -0.345437D+01
                86            87            88            89            90 
      1   0.280971D+01 -0.345437D+01  0.136550D+01 -0.194284D+01  0.223251D+01
      2  -0.247223D+01  0.239100D+01 -0.194284D+01  0.141463D+01  0.216265D+00
      3   0.239100D+01 -0.389687D+00  0.223251D+01  0.216265D+00 -0.651144D+00
                91            92            93            94            95 
      1  -0.254390D+01  0.961325D+00  0.363898D+00  0.184113D+01 -0.184395D+01
      2   0.961325D+00 -0.834907D+00  0.316251D+01 -0.184395D+01  0.936771D+00
      3   0.363898D+00  0.316251D+01 -0.175492D+01  0.314116D+01 -0.248078D+01
                96            97            98            99           100 
      1   0.314116D+01 -0.158077D+00  0.450421D+01 -0.271760D+01  0.607516D+00
      2  -0.248078D+01  0.450421D+01 -0.324314D+01  0.744056D+00  0.624845D+00
      3   0.119680D+00 -0.271760D+01  0.744056D+00 -0.336139D+00 -0.991930D+00
               101           102           103           104           105 
      1   0.624845D+00 -0.991930D+00  0.203557D+00 -0.227267D+00 -0.282439D+01
      2  -0.146225D+01 -0.275336D+01 -0.227267D+00  0.440131D+01  0.304797D+01
      3  -0.275336D+01  0.872212D+00 -0.282439D+01  0.304797D+01  0.138146D+01
               106           107           108           109           110 
      1  -0.151187D+01 -0.351768D+01  0.818923D+00  0.122844D+01 -0.490537D-01
      2  -0.351768D+01  0.470729D+01  0.247071D+01 -0.490537D-01  0.301248D+01
      3   0.818923D+00  0.247071D+01  0.193797D+00  0.629175D+00  0.217048D+01
               111           112           113           114           115 
      1   0.629175D+00  0.526790D+00  0.556026D+00  0.164465D+01  0.404430D+00
      2   0.217048D+01  0.556026D+00 -0.958485D+01 -0.440629D+01  0.106737D+01
      3  -0.595540D+00  0.164465D+01 -0.440629D+01 -0.147764D+01 -0.129900D+01
               116           117           118           119           120 
      1   0.106737D+01 -0.129900D+01  0.492668D+01  0.178245D+00  0.151277D+01
      2  -0.302041D+01 -0.174042D+01  0.178245D+00  0.127693D+01 -0.274013D+00
      3  -0.174042D+01  0.648380D+00  0.151277D+01 -0.274013D+00  0.141834D+01
               121           122           123           124           125 
      1  -0.819097D+00  0.837025D+00 -0.557657D+00  0.263722D+01 -0.469103D+00
      2   0.837025D+00 -0.855494D+00  0.324591D+00 -0.469103D+00  0.803888D+00
      3  -0.557657D+00  0.324591D+00 -0.407978D+00  0.195163D+01  0.244262D-01
               126           127           128           129           130 
      1   0.195163D+01  0.424531D+01  0.274810D+01 -0.148981D+01  0.288035D+01
      2   0.244262D-01  0.274810D+01  0.247790D+01 -0.136407D+01  0.304952D+01
      3   0.206777D+01 -0.148981D+01 -0.136407D+01  0.138847D+01 -0.144915D+01
               131           132           133           134           135 
      1   0.304952D+01 -0.144915D+01 -0.264190D+01 -0.268630D+01  0.240901D+01
      2   0.529123D+01 -0.195197D+01 -0.268630D+01 -0.300805D+01  0.233057D+01
      3  -0.195197D+01  0.156751D+01  0.240901D+01  0.233057D+01 -0.268650D+01
               136           137           138           139           140 
      1  -0.246956D+01  0.103622D+01 -0.106540D+01  0.917637D+00 -0.110937D+01
      2   0.103622D+01 -0.220915D+01  0.852860D+00 -0.110937D+01  0.339629D+01
      3  -0.106540D+01  0.852860D+00 -0.114528D+01  0.555374D+00 -0.896535D+00
               141           142           143           144           145 
      1   0.555374D+00 -0.176686D+01  0.980914D+00 -0.102368D+01  0.146250D+01
      2  -0.896535D+00  0.980914D+00 -0.179431D+01  0.167190D+01  0.193704D+01
      3   0.978415D+00 -0.102368D+01  0.167190D+01 -0.218647D+01  0.547252D+00
               146           147           148           149           150 
      1   0.193704D+01  0.547252D+00  0.151722D+01  0.187404D+01  0.819379D+00
      2   0.222984D+01  0.893879D+00  0.187404D+01  0.879978D+01  0.273737D+01
      3   0.893879D+00  0.605151D+00  0.819379D+00  0.273737D+01  0.191843D+01
               151           152           153           154           155 
      1   0.524434D+00  0.143720D+01  0.741027D+00 -0.244663D+01 -0.104562D+01
      2   0.143720D+01  0.494050D+01  0.309631D+01 -0.104562D+01 -0.220475D+01
      3   0.741027D+00  0.309631D+01  0.244757D+01  0.105150D+01  0.858767D+00
               156           157           158           159           160 
      1   0.105150D+01 -0.929354D+00 -0.110201D+01  0.559501D+00  0.175061D+01
      2   0.858767D+00 -0.110201D+01 -0.343264D+01  0.899523D+00  0.986653D+00
      3  -0.113600D+01  0.559501D+00  0.899523D+00 -0.986419D+00 -0.101011D+01
               161           162           163           164           165 
      1   0.986653D+00 -0.101011D+01  0.148742D+01 -0.194890D+01 -0.559582D+00
      2   0.180291D+01 -0.167935D+01 -0.194890D+01  0.225368D+01  0.908260D+00
      3  -0.167935D+01  0.217714D+01 -0.559582D+00  0.908260D+00  0.619373D+00
               166           167           168           169           170 
      1  -0.152522D+01  0.189131D+01  0.830137D+00 -0.540740D+00  0.145886D+01
      2   0.189131D+01 -0.874465D+01 -0.273182D+01  0.145886D+01 -0.493447D+01
      3   0.830137D+00 -0.273182D+01 -0.192005D+01  0.758871D+00 -0.310140D+01
               171           172           173           174           175 
      1   0.758871D+00  0.492997D+01 -0.166968D+00 -0.150537D+01  0.830477D+00
      2  -0.310140D+01 -0.166968D+00  0.127523D+01 -0.280543D+00  0.838758D+00
      3  -0.246185D+01 -0.150537D+01 -0.280543D+00  0.141329D+01 -0.563134D+00
               176           177           178           179           180 
      1   0.838758D+00 -0.563134D+00 -0.262258D+01 -0.480093D+00  0.194528D+01
      2   0.907544D+00 -0.343495D+00 -0.480093D+00 -0.829890D+00 -0.205909D-02
      3  -0.343495D+00  0.424096D+00  0.194528D+01 -0.205909D-02 -0.206766D+01
               181           182           183           184           185 
      1   0.427972D+01 -0.275698D+01  0.149957D+01 -0.289027D+01  0.305355D+01
      2  -0.275698D+01  0.248716D+01 -0.136880D+01  0.305355D+01 -0.526669D+01
      3   0.149957D+01 -0.136880D+01  0.139290D+01 -0.145174D+01  0.194010D+01
               186           187           188           189           190 
      1  -0.145174D+01  0.265747D+01 -0.268672D+01  0.241354D+01  0.441729D+01
      2   0.194010D+01 -0.268672D+01  0.298471D+01 -0.231909D+01  0.982070D+00
      3  -0.156124D+01  0.241354D+01 -0.231909D+01  0.268096D+01  0.179267D+01
               191           192           193           194           195 
      1   0.982070D+00  0.179267D+01  0.261476D+01  0.167108D+00  0.184034D+01
      2   0.173726D+01  0.811003D+00  0.167108D+00  0.202581D+01  0.342681D-01
      3   0.811003D+00  0.148414D+01  0.184034D+01  0.342681D-01  0.134488D+01
               196           197           198           199           200 
      1   0.978541D+00  0.101735D+01  0.947158D+00 -0.160831D+01  0.124267D+01
      2   0.101735D+01  0.189187D+00  0.585462D+00  0.124267D+01 -0.978645D+00
      3   0.947158D+00  0.585462D+00  0.174160D+01 -0.937958D-01  0.988559D+00
               201           202           203           204           205 
      1  -0.937958D-01 -0.207305D-01 -0.373046D-01  0.331778D+00  0.120815D+01
      2   0.988559D+00 -0.373046D-01 -0.121044D+01  0.904114D+00 -0.229548D+00
      3  -0.163714D+01  0.331778D+00  0.904114D+00 -0.133203D+01  0.108408D+00
               206           207           208           209           210 
      1  -0.229548D+00  0.108408D+00 -0.355003D+01 -0.112262D+01 -0.160371D+01
      2   0.133406D+01 -0.130518D+01 -0.112262D+01 -0.354852D+01 -0.191304D+01
      3  -0.130518D+01  0.569594D+01 -0.160371D+01 -0.191304D+01 -0.187372D+01
               211           212           213           214           215 
      1  -0.168275D+01 -0.127578D+01 -0.942565D+00 -0.127632D+01 -0.838980D+00
      2  -0.127578D+01 -0.134769D+01 -0.229872D+00 -0.838980D+00  0.815202D-01
      3  -0.942565D+00 -0.229872D+00 -0.704919D+00 -0.980117D+00 -0.599815D+00
               216           217           218           219           220 
      1  -0.980117D+00  0.878985D+00 -0.643166D+00 -0.124212D+01 -0.438165D+00
      2  -0.599815D+00 -0.643166D+00  0.154182D+01  0.432878D+00 -0.603750D-01
      3  -0.177412D+01 -0.124212D+01  0.432878D+00  0.198324D+01 -0.230044D+00
               221           222           223           224           225 
      1  -0.603750D-01 -0.230044D+00 -0.113336D+01  0.187591D+00  0.112422D+01
      2   0.202460D+01  0.351950D+00  0.187591D+00 -0.144958D+01 -0.793185D+00
      3   0.351950D+00  0.641794D+00  0.112422D+01 -0.793185D+00 -0.554313D+01
               226           227           228           229           230 
      1   0.456106D+00  0.420473D+00  0.817221D+00  0.252843D+01 -0.110075D+01
      2   0.420473D+00 -0.101173D+01 -0.129044D+00 -0.110075D+01  0.582793D+01
      3   0.817221D+00 -0.129044D+00  0.191243D+00  0.860945D+00 -0.883457D+00
               231           232           233           234           235 
      1   0.860945D+00  0.174513D+01 -0.391238D+00  0.546518D+00  0.891936D+00
      2  -0.883457D+00 -0.391238D+00  0.535045D-01  0.471278D+00 -0.738029D+00
      3   0.125268D+01  0.546518D+00  0.471278D+00 -0.225011D+00  0.316551D-01
               236           237           238           239           240 
      1  -0.738029D+00  0.316551D-01 -0.122826D+01  0.106121D+00 -0.428567D+00
      2  -0.607455D-01 -0.374675D+00  0.106121D+00  0.693040D+00 -0.558666D+00
      3  -0.374675D+00  0.680453D+00 -0.428567D+00 -0.558666D+00 -0.350095D+00
               241           242           243           244           245 
      1  -0.186440D+01  0.230451D+00 -0.881191D+00 -0.357731D+01  0.111956D+01
      2   0.230451D+00 -0.103330D+01  0.111677D+01  0.111956D+01 -0.355423D+01
      3  -0.881191D+00  0.111677D+01 -0.707715D+01  0.161997D+01 -0.190744D+01
               246           247           248           249           250 
      1   0.161997D+01  0.167269D+01 -0.127535D+01 -0.936405D+00  0.128630D+01
      2  -0.190744D+01 -0.127535D+01  0.132093D+01  0.221176D+00 -0.832048D+00
      3  -0.187881D+01 -0.936405D+00  0.221176D+00  0.699637D+00 -0.983724D+00
               251           252           253           254           255 
      1  -0.832048D+00 -0.983724D+00  0.875534D+00  0.641970D+00  0.124546D+01
      2  -0.828676D-01  0.599919D+00  0.641970D+00  0.155549D+01  0.441456D+00
      3   0.599919D+00  0.177822D+01  0.124546D+01  0.441456D+00  0.199129D+01
               256           257           258           259           260 
      1   0.443051D+00 -0.482037D-01 -0.224196D+00  0.113373D+01  0.188646D+00
      2  -0.482037D-01 -0.201819D+01 -0.350630D+00  0.188646D+00  0.145398D+01
      3  -0.224196D+00 -0.350630D+00 -0.628898D+00  0.112545D+01  0.803314D+00
               261           262           263           264           265 
      1   0.112545D+01  0.443898D+01 -0.981387D+00 -0.179235D+01 -0.260463D+01
      2   0.803314D+00 -0.981387D+00  0.176971D+01  0.790041D+00  0.180486D+00
      3   0.554335D+01 -0.179235D+01  0.790041D+00  0.148730D+01  0.182280D+01
               266           267           268           269           270 
      1   0.180486D+00  0.182280D+01 -0.974225D+00  0.100836D+01  0.943951D+00
      2  -0.209666D+01  0.148392D-01  0.100836D+01 -0.138711D+00 -0.599886D+00
      3   0.148392D-01 -0.135151D+01  0.943951D+00 -0.599886D+00 -0.171707D+01
               271           272           273           274           275 
      1  -0.159655D+01 -0.124536D+01  0.904878D-01  0.120712D-01 -0.451456D-01
      2  -0.124536D+01 -0.986302D+00  0.986829D+00 -0.451456D-01  0.120249D+01
      3   0.904878D-01  0.986829D+00 -0.163541D+01  0.332716D+00 -0.896368D+00
               276           277           278           279           280 
      1   0.332716D+00 -0.121001D+01 -0.235110D+00  0.113261D+00 -0.961092D+00
      2  -0.896368D+00 -0.235110D+00 -0.133402D+01  0.129881D+01 -0.672855D+00
      3   0.131900D+01  0.113261D+00  0.129881D+01 -0.570769D+01 -0.987142D+00
               281           282           283           284           285 
      1  -0.672855D+00 -0.987142D+00 -0.152739D+01 -0.128713D+01 -0.571827D+00
      2  -0.421292D+00 -0.187460D+00 -0.128713D+01 -0.409934D+01 -0.203981D+01
      3  -0.187460D+00 -0.416635D+00 -0.571827D+00 -0.203981D+01 -0.224224D+01
               286           287           288           289           290 
      1  -0.163131D+01 -0.418189D+00 -0.904883D+00 -0.909370D+01  0.229392D+01
      2  -0.418189D+00 -0.156488D+01 -0.146465D+01  0.229392D+01 -0.160676D+01
      3  -0.904883D+00 -0.146465D+01 -0.214437D+01 -0.248023D+01  0.617239D+00
               291           292           293           294           295 
      1  -0.248023D+01  0.446954D+01 -0.243615D+01  0.143894D+01 -0.273243D+01
      2   0.617239D+00 -0.243615D+01  0.138978D+01 -0.122477D+01  0.772420D+00
      3  -0.185130D+01  0.143894D+01 -0.122477D+01  0.926120D+00 -0.237708D+01
               296           297           298           299           300 
      1   0.772420D+00 -0.237708D+01 -0.906256D+01 -0.231686D+01  0.246245D+01
      2  -0.764906D+00  0.629240D+00 -0.231686D+01 -0.162311D+01  0.619309D+00
      3   0.629240D+00 -0.149139D+01  0.246245D+01  0.619309D+00 -0.184022D+01
               301           302           303           304           305 
      1  -0.449576D+01 -0.246144D+01  0.143989D+01  0.271376D+01  0.776395D+00
      2  -0.246144D+01 -0.141799D+01  0.122935D+01  0.776395D+00  0.768524D+00
      3   0.143989D+01  0.122935D+01 -0.930786D+00 -0.236643D+01 -0.637077D+00
               306           307           308           309           310 
      1  -0.236643D+01 -0.956078D+00  0.690756D+00  0.984916D+00  0.155494D+01
      2  -0.637077D+00  0.690756D+00 -0.433919D+00 -0.197060D+00 -0.129731D+01
      3   0.148078D+01  0.984916D+00 -0.197060D+00 -0.426469D+00 -0.584465D+00
               311           312           313           314           315 
      1  -0.129731D+01 -0.584465D+00  0.163235D+01 -0.422553D+00 -0.912158D+00
      2   0.409298D+01  0.203434D+01 -0.422553D+00  0.155967D+01  0.146002D+01
      3   0.203434D+01  0.224085D+01 -0.912158D+00  0.146002D+01  0.214110D+01
               316           317           318           319           320 
      1   0.880441D+00  0.742727D+00 -0.291388D-01  0.123775D+01  0.115552D+00
      2   0.742727D+00 -0.547122D-01 -0.373977D+00  0.115552D+00 -0.686826D+00
      3  -0.291388D-01 -0.373977D+00  0.672640D+00 -0.433004D+00  0.554307D+00
               321           322           323           324           325 
      1  -0.433004D+00  0.186268D+01  0.234330D+00 -0.883764D+00  0.469079D+00
      2   0.554307D+00  0.234330D+00  0.103242D+01 -0.110890D+01 -0.404758D+00
      3   0.365294D+00 -0.883764D+00 -0.110890D+01  0.708003D+01 -0.816928D+00
               326           327           328           329           330 
      1  -0.404758D+00 -0.816928D+00 -0.251330D+01 -0.109893D+01  0.852330D+00
      2  -0.993414D+00 -0.137256D+00 -0.109893D+01 -0.583325D+01  0.901016D+00
      3  -0.137256D+00  0.193704D+00  0.852330D+00  0.901016D+00 -0.125273D+01
               331           332           333 
      1  -0.173609D+01 -0.397119D+00  0.543272D+00
      2  -0.397119D+00 -0.431082D-01 -0.469317D+00
      3   0.543272D+00 -0.469317D+00  0.232908D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.249153D+01 -0.238595D+00  0.872619D-01  0.689343D+00 -0.193844D+01
      2  -0.530177D+01 -0.670605D+01  0.712629D+01 -0.817673D+01 -0.795317D+01
      3  -0.101271D+02 -0.207252D+01  0.279255D+01  0.736131D+00  0.998472D+01
                 6             7             8             9            10 
      1  -0.420142D+01  0.497486D+00 -0.539077D+00 -0.702054D+00  0.247304D+01
      2  -0.610889D+01  0.277506D+01 -0.842261D+00  0.169957D+01  0.537195D+01
      3   0.842594D+01  0.396228D+01  0.897629D+01  0.368068D+01  0.101292D+02
                11            12            13            14            15 
      1   0.304141D+00 -0.101755D+00 -0.621644D+00 -0.195041D+01 -0.421508D+01
      2  -0.672303D+01  0.712108D+01 -0.822236D+01  0.787487D+01  0.610915D+01
      3  -0.192408D+01  0.284842D+01  0.889967D+00 -0.997751D+01 -0.841582D+01
                16            17            18            19            20 
      1  -0.507289D+00 -0.536113D+00 -0.687640D+00 -0.895023D+00  0.679987D+01
      2   0.276188D+01  0.835965D+00 -0.168396D+01 -0.189088D+02 -0.117576D+01
      3   0.401908D+01 -0.897605D+01 -0.366853D+01 -0.127253D+02  0.308657D+01
                21            22            23            24            25 
      1   0.190668D+01  0.178705D+02  0.152102D+02 -0.995641D+01  0.109869D+02
      2  -0.163193D+01 -0.867843D+00 -0.291241D+01 -0.689731D+00 -0.240512D+02
      3   0.162218D+01  0.252528D+02  0.164840D+02 -0.945021D+01  0.267328D+01
                26            27            28            29            30 
      1   0.681436D+01 -0.132968D+02 -0.155613D+01  0.159226D-01  0.109521D-01
      2  -0.852688D+01  0.212850D+02 -0.594141D-01  0.103939D+01 -0.364288D+01
      3  -0.221326D+01 -0.779621D-01 -0.301693D-01  0.732259D+01  0.142933D+01
                31            32            33            34            35 
      1  -0.190956D-01 -0.761219D-01  0.463916D+01 -0.853539D-02 -0.111059D+02
      2  -0.441246D+00 -0.301461D-01  0.208689D-02  0.120985D+02  0.330801D-01
      3  -0.919278D+01 -0.726073D-02  0.501206D-01  0.303302D+00  0.135942D-01
                36            37            38            39            40 
      1   0.181694D+00 -0.635683D+01  0.782930D+01  0.687448D+01  0.124801D+02
      2  -0.287439D-01 -0.195579D+02 -0.842492D+01  0.769269D+01  0.101190D+01
      3  -0.151426D-01 -0.218122D+02 -0.293476D+01  0.116890D+02  0.184266D+02
                41            42            43            44            45 
      1   0.114427D+02 -0.423475D+01  0.121968D+02  0.945743D+01 -0.729236D+01
      2  -0.537589D+00 -0.954863D+01 -0.184743D+02 -0.175774D+02  0.179190D+02
      3   0.162841D+02 -0.796418D+01  0.478610D+01 -0.471476D+01  0.310554D+01
                46            47            48            49            50 
      1   0.569270D+01 -0.482695D+01  0.270129D+01 -0.441813D+01 -0.839895D+01
      2  -0.393491D+01  0.564267D+01 -0.193548D+01  0.450541D+01  0.593999D+01
      3  -0.365762D+01  0.383441D-01 -0.906473D+01  0.570753D+01 -0.314104D+01
                51            52            53            54            55 
      1  -0.635702D+01  0.769751D+00 -0.352150D+01  0.140925D+01 -0.782375D+00
      2   0.306262D+01 -0.364178D+01  0.426174D+01 -0.106780D+01 -0.928678D+00
      3  -0.284221D+01 -0.134566D+02 -0.171745D+01 -0.507468D+01  0.579636D+01
                56            57            58            59            60 
      1   0.918742D+01 -0.669309D+01  0.105177D+02  0.347134D+01 -0.684510D+00
      2  -0.389505D+01  0.430255D+01 -0.359374D+01 -0.163009D+00  0.723033D+00
      3  -0.437626D+01  0.226474D+01  0.105772D+01  0.472197D+00 -0.920901D+01
                61            62            63            64            65 
      1  -0.650500D+01 -0.234089D+00 -0.148174D+01 -0.486332D-02  0.154790D+01
      2   0.287785D+00  0.130796D+01  0.654400D+00 -0.238712D+01  0.181441D+02
      3   0.571527D+01 -0.121651D+02  0.547558D+01 -0.271351D+00 -0.318537D+02
                66            67            68            69            70 
      1   0.674730D+01 -0.310488D+01 -0.186209D+02  0.191861D+01  0.710833D+01
      2   0.116819D+02  0.913129D+01 -0.255882D+01 -0.389617D+01  0.775459D+00
      3  -0.128373D+02 -0.925376D+01  0.588365D+01  0.638075D+01 -0.619266D+01
                71            72            73            74            75 
      1   0.295809D+02  0.182718D+02 -0.874604D+00 -0.685081D+01 -0.185282D+01
      2  -0.943879D+00  0.243891D+01  0.190175D+02 -0.117246D+01 -0.154349D+01
      3   0.201115D+01 -0.304375D+01  0.126952D+02  0.314541D+01  0.163072D+01
                76            77            78            79            80 
      1  -0.179024D+02  0.151137D+02 -0.992817D+01 -0.109353D+02  0.679151D+01
      2  -0.911459D+00  0.298603D+01  0.666424D+00 -0.240009D+02  0.848617D+01
      3   0.252543D+02 -0.163570D+02  0.940372D+01  0.271206D+01  0.219489D+01
                81            82            83            84            85 
      1  -0.132283D+02 -0.634501D+01 -0.785591D+01 -0.692682D+01 -0.125355D+02
      2  -0.213227D+02  0.194980D+02 -0.843105D+01  0.764614D+01  0.102991D+01
      3   0.653273D-01  0.217011D+02 -0.285521D+01  0.116969D+02  0.185252D+02
                86            87            88            89            90 
      1   0.114323D+02 -0.431260D+01 -0.121834D+02  0.929977D+01 -0.721575D+01
      2   0.470345D+00  0.962372D+01 -0.185169D+02  0.175825D+02 -0.179073D+02
      3  -0.163128D+02  0.806717D+01  0.479287D+01  0.480008D+01 -0.312861D+01
                91            92            93            94            95 
      1   0.562063D+01  0.493092D+01 -0.266729D+01  0.447973D+01 -0.835141D+01
      2   0.390030D+01  0.575824D+01 -0.192621D+01  0.456490D+01 -0.594139D+01
      3   0.362935D+01  0.176445D+00 -0.911696D+01  0.574983D+01  0.307683D+01
                96            97            98            99           100 
      1  -0.635120D+01 -0.713155D+00 -0.353573D+01  0.138595D+01 -0.682565D+00
      2  -0.309320D+01 -0.359511D+01 -0.430917D+01  0.105604D+01  0.969296D+00
      3   0.280403D+01 -0.134545D+02  0.164166D+01  0.506241D+01 -0.577430D+01
               101           102           103           104           105 
      1  -0.923610D+01  0.663480D+01 -0.105526D+02  0.343433D+01 -0.619337D+00
      2  -0.392928D+01  0.431851D+01 -0.363694D+01  0.143263D+00 -0.709123D+00
      3  -0.443561D+01  0.220508D+01  0.103003D+01 -0.536022D+00  0.924206D+01
               106           107           108           109           110 
      1   0.644659D+01 -0.148514D+00 -0.144771D+01 -0.208608D-01 -0.156196D+01
      2   0.295560D+00 -0.129923D+01 -0.655405D+00  0.230365D+01  0.181346D+02
      3   0.564445D+01  0.122314D+02 -0.542928D+01  0.409739D+00 -0.318371D+02
               111           112           113           114           115 
      1  -0.679631D+01  0.314451D+01 -0.186488D+02  0.183331D+01 -0.720486D+01
      2   0.116400D+02  0.913261D+01  0.260688D+01  0.394905D+01  0.737152D+00
      3  -0.128105D+02 -0.920318D+01 -0.603336D+01 -0.643052D+01 -0.617012D+01
               116           117           118           119           120 
      1   0.295508D+02  0.182990D+02 -0.421715D+01  0.115176D+01 -0.312391D+01
      2   0.103651D+01 -0.238269D+01  0.507890D+01 -0.113554D+01  0.539923D+01
      3  -0.202693D+01  0.303834D+01  0.116157D+02 -0.455473D+01  0.491852D+01
               121           122           123           124           125 
      1   0.167919D+01 -0.835605D+00  0.589731D+00 -0.434867D+01  0.201777D+01
      2  -0.199108D+01  0.109867D+01 -0.205781D+01  0.446788D+01 -0.442309D+00
      3  -0.393620D+01  0.665496D+01 -0.269270D+01  0.820660D+01 -0.455368D+01
               126           127           128           129           130 
      1  -0.578984D+01  0.170161D+01  0.109587D+01 -0.353445D+01  0.229607D+01
      2   0.685620D+01 -0.841655D+00 -0.124708D+01  0.350387D+01 -0.192277D+01
      3   0.478051D+01  0.442067D+01 -0.320665D+00 -0.871925D+00  0.136289D+01
               131           132           133           134           135 
      1   0.126509D+01 -0.426351D+01 -0.188269D+01  0.137511D+00  0.536674D+01
      2  -0.240253D+01  0.356986D+01  0.943106D+00  0.195330D+01 -0.490573D+01
      3  -0.517860D+01  0.562208D+00  0.817153D+00  0.368324D+01  0.202155D+00
               136           137           138           139           140 
      1   0.467576D+01 -0.330813D+01  0.512023D+01 -0.241801D+01  0.342289D+01
      2  -0.983229D+00  0.646128D+00  0.358758D+00  0.578620D+00 -0.603904D+00
      3  -0.119658D+02  0.347935D+01 -0.512520D+01  0.425182D+01 -0.666801D+01
               141           142           143           144           145 
      1  -0.393460D+01  0.437884D+01 -0.411209D+01  0.902100D+01 -0.437637D+00
      2   0.207484D+00 -0.223109D+01  0.495980D+00 -0.156733D+01 -0.333379D+00
      3   0.271701D+01 -0.840876D+01  0.445870D+01 -0.497346D+01  0.312250D+01
               146           147           148           149           150 
      1  -0.227593D+01 -0.203527D+01 -0.929661D+00 -0.393679D+01 -0.691522D+01
      2   0.237742D+00  0.991616D+00 -0.462086D+00  0.134198D+01  0.207247D+01
      3   0.316584D+01  0.798821D+00  0.490202D+01 -0.238217D+01 -0.465797D+00
               151           152           153           154           155 
      1  -0.517741D+00 -0.237556D+01 -0.664903D+01  0.460263D+01  0.335694D+01
      2  -0.138803D+01  0.541018D+00  0.206544D+01  0.973868D+00  0.664047D+00
      3   0.258634D+01  0.254818D+01 -0.314705D+00  0.118802D+02  0.356819D+01
               156           157           158           159           160 
      1  -0.508016D+01  0.245463D+01  0.342715D+01 -0.398341D+01 -0.431823D+01
      2   0.351902D+00  0.596447D+00  0.609882D+00 -0.225563D+00 -0.222503D+01
      3  -0.507109D+01  0.433168D+01  0.669613D+01 -0.275779D+01 -0.835261D+01
               161           162           163           164           165 
      1  -0.416384D+01  0.898615D+01 -0.463003D+00  0.229268D+01  0.207460D+01
      2  -0.529133D+00  0.159065D+01  0.335404D+00  0.250824D+00  0.101203D+01
      3  -0.452798D+01  0.494504D+01 -0.316860D+01  0.314532D+01  0.809395D+00
               166           167           168           169           170 
      1   0.955357D+00 -0.393152D+01 -0.690122D+01  0.547916D+00 -0.239039D+01
      2  -0.450823D+00 -0.136040D+01 -0.209695D+01 -0.138667D+01 -0.555823D+00
      3   0.486964D+01  0.240091D+01  0.461842D+00  0.261020D+01 -0.254929D+01
               171           172           173           174           175 
      1  -0.668081D+01 -0.416791D+01 -0.116768D+01  0.309163D+01 -0.168935D+01
      2  -0.210347D+01 -0.506342D+01 -0.117106D+01  0.539257D+01 -0.202489D+01
      3   0.300912D+00 -0.115820D+02 -0.459875D+01  0.490644D+01 -0.397205D+01
               176           177           178           179           180 
      1  -0.935002D+00  0.643261D+00  0.430968D+01  0.210653D+01 -0.577989D+01
      2  -0.119025D+01  0.212980D+01  0.447029D+01  0.530412D+00 -0.688835D+01
      3  -0.686665D+01  0.278615D+01  0.817674D+01  0.469469D+01 -0.482990D+01
               181           182           183           184           185 
      1   0.171022D+01 -0.110321D+01  0.353972D+01 -0.228491D+01  0.123625D+01
      2   0.859242D+00 -0.126749D+01  0.353210D+01 -0.193287D+01  0.238442D+01
      3  -0.442530D+01 -0.377622D+00 -0.857463D+00  0.132496D+01  0.517869D+01
               186           187           188           189           190 
      1  -0.423831D+01  0.186823D+01  0.160934D+00  0.533584D+01  0.449769D+01
      2  -0.357043D+01  0.942492D+00 -0.192944D+01  0.491013D+01 -0.300284D+01
      3  -0.558212D+00  0.821911D+00 -0.365297D+01 -0.208568D+00 -0.711117D+01
               191           192           193           194           195 
      1   0.379150D+01  0.325995D+01  0.451336D+01  0.498650D+01  0.237161D+01
      2  -0.959287D+00  0.644103D+00 -0.471365D+01  0.915128D+00 -0.647560D+00
      3  -0.564095D+01 -0.368686D+01 -0.683751D+01 -0.572191D+01 -0.414940D+01
               196           197           198           199           200 
      1   0.193750D+01  0.249798D+01  0.245256D+01  0.124633D+01 -0.161697D+01
      2   0.487461D+00  0.694919D+00  0.991642D+00 -0.110105D+01  0.287890D+01
      3  -0.172146D+01 -0.112674D+01 -0.281220D+01 -0.210158D+01  0.247741D+01
               201           202           203           204           205 
      1  -0.787218D+00  0.222821D+00 -0.304381D+00 -0.801310D+00 -0.140917D+00
      2  -0.597811D+01  0.162327D+01  0.166339D+01 -0.273876D+01 -0.163820D+01
      3  -0.282999D+01  0.162426D+01  0.109979D+01 -0.166292D+01 -0.604441D-01
               206           207           208           209           210 
      1   0.151128D+01  0.411772D+01 -0.261732D+01  0.284795D+01 -0.203816D+01
      2  -0.277934D+01  0.115387D+02 -0.794751D+01 -0.423807D+01 -0.334161D+01
      3  -0.236771D+01  0.243581D+01  0.114921D+02  0.443409D+01  0.582488D+01
               211           212           213           214           215 
      1   0.784884D-01 -0.840687D+00 -0.161343D+01 -0.250035D+01 -0.224467D+00
      2  -0.196799D+01 -0.634819D+00 -0.984735D+00 -0.246812D+01 -0.362294D+00
      3   0.330098D+01  0.127180D+01  0.118698D+01  0.213716D+01  0.106091D+01
               216           217           218           219           220 
      1  -0.206685D+01 -0.235864D+01  0.192826D-01  0.521104D+01 -0.389463D+00
      2  -0.180479D+01  0.183237D+01 -0.135873D+01 -0.152577D+01  0.724428D+00
      3   0.298055D+01 -0.223974D+01  0.830177D+00  0.291987D+01 -0.412836D-01
               221           222           223           224           225 
      1   0.143254D+01  0.312904D+01  0.221899D+01  0.232726D+00 -0.117430D+02
      2  -0.225217D+01 -0.142967D+01 -0.259002D+01  0.777936D+00  0.185935D+01
      3   0.314803D+01  0.156309D+01  0.223506D+01 -0.119604D+01 -0.257406D+01
               226           227           228           229           230 
      1   0.776286D+00 -0.105755D+01  0.912294D+00  0.230216D+01 -0.102044D+02
      2   0.157830D+01  0.534048D+00  0.153146D+01  0.297183D+01  0.507868D+00
      3   0.393352D+00  0.578578D+00 -0.557418D+00  0.101208D+01  0.124185D+02
               231           232           233           234           235 
      1   0.821716D-01  0.234661D+01 -0.238360D+01  0.123811D+00 -0.193905D+01
      2  -0.926645D+00  0.157806D+01 -0.177472D+01  0.691027D+00  0.851155D+00
      3  -0.159127D+01 -0.186036D+00  0.223521D+01  0.351203D+00  0.177139D+01
               236           237           238           239           240 
      1   0.817318D+00 -0.201887D+01  0.849728D+00  0.225998D+00  0.168605D+01
      2   0.139956D+01 -0.282296D+01  0.133045D+00  0.139666D+01  0.991742D+00
      3  -0.737654D+00 -0.303635D+00  0.207405D+00  0.343630D+00 -0.162258D+01
               241           242           243           244           245 
      1   0.155963D+01  0.692050D+00  0.689165D+01 -0.266555D+01 -0.284533D+01
      2  -0.149198D+01 -0.266328D+01  0.140783D+02  0.798357D+01 -0.421053D+01
      3  -0.223660D+01 -0.140417D+01  0.140706D+01 -0.115843D+02  0.435717D+01
               246           247           248           249           250 
      1   0.207533D+01 -0.900419D-01 -0.863079D+00 -0.160671D+01  0.251967D+01
      2  -0.334749D+01 -0.192840D+01  0.616139D+00  0.963545D+00 -0.247132D+01
      3   0.584985D+01  0.323140D+01 -0.127155D+01 -0.116197D+01  0.216270D+01
               251           252           253           254           255 
      1  -0.211738D+00 -0.207816D+01 -0.236279D+01 -0.338829D-01 -0.523027D+01
      2   0.354613D+00  0.180117D+01 -0.184254D+01 -0.137243D+01 -0.155140D+01
      3  -0.105535D+01 -0.299094D+01  0.224329D+01  0.857274D+00  0.293275D+01
               256           257           258           259           260 
      1   0.372529D+00  0.140959D+01  0.308934D+01 -0.222023D+01  0.214454D+00
      2   0.709721D+00  0.225585D+01  0.143290D+01 -0.260033D+01 -0.791443D+00
      3  -0.241454D-01 -0.314236D+01 -0.155282D+01  0.224005D+01  0.120891D+01
               261           262           263           264           265 
      1  -0.117335D+02  0.452042D+01 -0.385848D+01 -0.321644D+01 -0.452316D+01
      2  -0.190350D+01  0.305160D+01 -0.102882D+01  0.665598D+00 -0.476275D+01
      3   0.258636D+01  0.718238D+01 -0.577365D+01 -0.363321D+01 -0.690831D+01
               266           267           268           269           270 
      1   0.516673D+01  0.224090D+01 -0.190890D+01  0.238193D+01  0.247705D+01
      2  -0.720035D+00  0.567066D+00  0.517252D+00 -0.775475D+00 -0.930103D+00
      3   0.602519D+01  0.396401D+01 -0.167119D+01  0.952255D+00  0.286823D+01
               271           272           273           274           275 
      1   0.122150D+01  0.160310D+01  0.809886D+00 -0.222294D+00 -0.297822D+00
      2   0.110668D+01  0.288915D+01 -0.597582D+01  0.163175D+01 -0.164600D+01
      3   0.208968D+01  0.247769D+01 -0.282043D+01  0.163491D+01 -0.108453D+01
               276           277           278           279           280 
      1  -0.798407D+00  0.141312D+00  0.150862D+01  0.417157D+01  0.625681D+00
      2   0.269861D+01 -0.162221D+01  0.276392D+01 -0.115584D+02  0.380412D+01
      3   0.165106D+01 -0.556580D-01  0.236152D+01 -0.241627D+01 -0.236287D+01
               281           282           283           284           285 
      1   0.138982D+00  0.148804D+00  0.135727D+01  0.511331D+01  0.548838D+00
      2  -0.414407D+00  0.354878D+00 -0.486188D+00  0.592876D+01  0.798109D+01
      3  -0.112893D+01 -0.460707D+00 -0.148565D+01 -0.155253D+02 -0.730536D+01
               286           287           288           289           290 
      1   0.117498D+00  0.301640D+01  0.108493D+01 -0.135001D+01  0.154674D+01
      2  -0.452475D+00  0.507981D+01  0.623840D+01 -0.710062D+00 -0.406115D+00
      3  -0.100429D+01 -0.585174D+01 -0.565609D+01  0.479859D+01 -0.644387D+01
               291           292           293           294           295 
      1  -0.897015D-01  0.154857D+01 -0.143854D+01 -0.168134D+00 -0.837806D-01
      2   0.596491D+01  0.377324D+01  0.122355D+01 -0.159867D+01  0.241992D+01
      3   0.214806D+01 -0.312076D+01  0.483014D+01 -0.329788D+01 -0.628357D-01
               296           297           298           299           300 
      1   0.133908D+01  0.725477D-01 -0.134225D+01 -0.154128D+01  0.637313D-01
      2  -0.152395D+01  0.272727D+01  0.692729D+00 -0.403587D+00  0.595667D+01
      3  -0.306685D+01  0.108827D+01 -0.478430D+01 -0.646091D+01  0.213327D+01
               301           302           303           304           305 
      1  -0.157009D+01 -0.144505D+01 -0.179132D+00  0.737585D-01  0.132871D+01
      2   0.378921D+01 -0.120892D+01  0.162467D+01  0.241740D+01  0.153731D+01
      3  -0.314730D+01 -0.488592D+01  0.330276D+01 -0.707536D-01  0.306230D+01
               306           307           308           309           310 
      1   0.814453D-01  0.691904D+00 -0.146961D+00 -0.162727D+00 -0.135321D+01
      2  -0.270590D+01 -0.385661D+01 -0.421938D+00  0.413423D+00 -0.497129D+00
      3  -0.109059D+01  0.248567D+01 -0.116372D+01 -0.524458D+00 -0.151148D+01
               311           312           313           314           315 
      1   0.512704D+01  0.559757D+00 -0.135413D+00  0.302427D+01  0.109963D+01
      2  -0.591706D+01 -0.797082D+01 -0.410293D+00 -0.506172D+01 -0.623204D+01
      3   0.155545D+02  0.728693D+01 -0.104879D+01  0.584273D+01  0.565287D+01
               316           317           318           319           320 
      1  -0.193055D+01 -0.829999D+00  0.201670D+01 -0.868966D+00  0.230815D+00
      2  -0.855773D+00  0.138731D+01 -0.279804D+01  0.129176D+00 -0.138650D+01
      3  -0.177932D+01 -0.750515D+00 -0.295481D+00  0.185108D+00 -0.337416D+00
               321           322           323           324           325 
      1   0.171385D+01 -0.156496D+01  0.681323D+00  0.695162D+01  0.822184D+00
      2  -0.102438D+01 -0.149327D+01  0.263899D+01 -0.140579D+02 -0.159303D+01
      3   0.162668D+01 -0.224502D+01  0.138798D+01 -0.137689D+01 -0.353496D+00
               326           327           328           329           330 
      1   0.107812D+01 -0.931414D+00 -0.231746D+01 -0.101735D+02  0.115880D+00
      2   0.528962D+00  0.152129D+01  0.295417D+01 -0.544530D+00  0.942428D+00
      3   0.605164D+00 -0.592364D+00  0.983460D+00 -0.123783D+02  0.164705D+01
               331           332           333 
      1  -0.234609D+01 -0.236833D+01  0.130413D+00
      2   0.155566D+01  0.177558D+01 -0.694071D+00
      3  -0.204266D+00 -0.219971D+01 -0.345215D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.187241D+02  0.248677D+02 -0.203379D+02  0.311244D+02 -0.282935D+01
      2   0.120020D+02 -0.141847D+02  0.100743D+02 -0.181288D+02  0.305797D+01
      3   0.672213D+01 -0.106830D+02  0.102636D+02 -0.129956D+02 -0.228617D+00
      4   0.222903D+02 -0.618104D+01  0.390544D+01 -0.829424D+01 -0.109612D+02
      5  -0.194609D+02  0.523505D+01 -0.716323D+01  0.982831D+01 -0.179402D+02
      6   0.707460D+01 -0.448614D+00 -0.808004D+00 -0.428660D+01 -0.470703D+01
                 6             7             8             9            10 
      1   0.721442D+01 -0.158535D+02  0.469428D+01 -0.375322D+01 -0.183575D+02
      2  -0.446652D+01  0.729970D+01 -0.304718D+01  0.101346D+00  0.116847D+02
      3  -0.274791D+01  0.855382D+01 -0.164710D+01  0.365187D+01  0.667275D+01
      4  -0.155693D+02  0.421615D+01 -0.130676D+02 -0.347112D+01 -0.223830D+02
      5  -0.554051D+01 -0.739787D+01 -0.351723D+01  0.489256D+01  0.193127D+02
      6  -0.617857D+01  0.189607D+00 -0.552074D+01 -0.144384D+01  0.709637D+01
                11            12            13            14            15 
      1  -0.248792D+02  0.202693D+02 -0.311525D+02 -0.324821D+01  0.708685D+01
      2   0.141512D+02 -0.999513D+01  0.181030D+02  0.330469D+01 -0.435667D+01
      3   0.107280D+02 -0.102741D+02  0.130496D+02 -0.564802D-01 -0.273018D+01
      4  -0.654064D+01  0.390498D+01 -0.871109D+01  0.108975D+02  0.156375D+02
      5   0.515520D+01 -0.708794D+01  0.972585D+01  0.180268D+02  0.556495D+01
      6   0.528078D+00  0.833868D+00  0.438937D+01 -0.461353D+01 -0.613139D+01
                16            17            18            19            20 
      1   0.157840D+02  0.458434D+01 -0.368948D+01  0.131327D+02  0.129843D+02
      2  -0.723009D+01 -0.294894D+01  0.899154D-01 -0.143388D+02 -0.929035D+01
      3  -0.855388D+01 -0.163541D+01  0.359957D+01  0.120613D+01 -0.369396D+01
      4   0.420045D+01  0.131244D+02  0.347121D+01  0.533080D+01 -0.284971D+00
      5  -0.734365D+01  0.352772D+01 -0.491030D+01 -0.104670D+02 -0.295961D+01
      6  -0.169993D+00 -0.550226D+01 -0.144984D+01 -0.750199D+01  0.132939D+01
                21            22            23            24            25 
      1  -0.117515D+02  0.660017D+01  0.229900D+01  0.189329D+01 -0.540414D+01
      2   0.108618D+02 -0.471148D+01 -0.865752D+01  0.312953D+00  0.547447D+01
      3   0.889612D+00 -0.188869D+01  0.635852D+01 -0.220624D+01 -0.703263D-01
      4  -0.104036D+01 -0.250242D+00 -0.113164D+02 -0.170023D+01 -0.113650D+01
      5   0.743518D+01 -0.199345D+01 -0.259871D+01  0.172754D+01  0.566562D+01
      6   0.141176D+01  0.223462D+00  0.448180D+01  0.358802D+01  0.180712D+00
                26            27            28            29            30 
      1   0.570436D-01  0.101958D+02 -0.114848D+02 -0.140421D-01  0.203865D-01
      2  -0.691258D+00  0.445298D+01  0.216234D+01  0.120340D-01 -0.266514D-01
      3   0.634214D+00 -0.146488D+02  0.932246D+01  0.200816D-02  0.626492D-02
      4  -0.129630D+00 -0.127483D+01 -0.118968D-02 -0.596103D+01 -0.547438D+01
      5  -0.257890D+00  0.701085D+01  0.124104D-01 -0.367663D+01 -0.236375D+01
      6   0.338487D+01  0.247541D+01 -0.326352D+01 -0.119536D-01  0.110084D-01
                31            32            33            34            35 
      1   0.805617D-02  0.225212D+01 -0.555385D+01  0.171919D-01 -0.829085D+01
      2  -0.113355D-01 -0.105580D+02  0.675975D+01 -0.212881D-01  0.899660D+01
      3   0.327933D-02  0.830589D+01 -0.120590D+01  0.409621D-02 -0.705747D+00
      4  -0.715796D+01  0.111656D-01 -0.376905D-01 -0.838312D+01 -0.218149D-01
      5  -0.332630D+01 -0.233139D-01  0.369658D-02  0.483707D+01 -0.246932D-02
      6  -0.167303D-01  0.396302D+01 -0.231908D+01  0.868642D-02  0.377332D+01
                36            37            38            39            40 
      1   0.279797D+00 -0.654615D+01  0.173393D+01  0.987849D+01  0.847904D+00
      2   0.437202D+00  0.103916D+02 -0.425963D+01 -0.712768D+01 -0.173992D-01
      3  -0.717000D+00 -0.384544D+01  0.252571D+01 -0.275081D+01 -0.830505D+00
      4  -0.565060D-02  0.105546D+02  0.548281D+01 -0.805228D+01  0.911589D+01
      5   0.113358D-01  0.266174D+01 -0.112342D+02  0.254604D+01 -0.107229D+02
      6  -0.794144D+00 -0.372908D+01 -0.511412D+01  0.631391D+01 -0.415999D+01
                41            42            43            44            45 
      1  -0.644735D+01 -0.525616D+01  0.823513D+01 -0.544966D+01  0.610715D+01
      2   0.444250D+01 -0.459311D+01 -0.420054D+01 -0.131488D+01  0.179059D+01
      3   0.200485D+01  0.984927D+01 -0.403459D+01  0.676454D+01 -0.789774D+01
      4   0.718981D+01 -0.947152D+01 -0.322828D+01 -0.648520D+01  0.229463D+01
      5  -0.460324D+01  0.317853D+01  0.191524D+01  0.890414D+00  0.110794D+01
      6  -0.316222D+01  0.946239D+00  0.430488D+01  0.304727D-01  0.624269D+01
                46            47            48            49            50 
      1  -0.677894D+01  0.142231D+01 -0.135137D+02  0.169840D+01 -0.100352D+01
      2   0.145051D+01 -0.167645D+01  0.174675D+02 -0.546006D+01  0.114056D+01
      3   0.532843D+01  0.254136D+00 -0.395380D+01  0.376165D+01 -0.137043D+00
      4  -0.116840D+02 -0.793682D+01  0.801932D+01 -0.131912D+02 -0.889516D+01
      5  -0.362235D+01  0.128737D+02 -0.845756D+01  0.135967D+02  0.122244D+02
      6   0.140018D+01  0.147747D+02 -0.927477D+01  0.151575D+02  0.119259D+02
                51            52            53            54            55 
      1   0.647518D+01 -0.161752D+02  0.744004D+01 -0.864743D+01  0.282201D+01
      2   0.685173D+01  0.202688D+02  0.502247D+01  0.444498D+01 -0.238185D+01
      3  -0.133269D+02 -0.409362D+01 -0.124625D+02  0.420244D+01 -0.440159D+00
      4   0.202302D+02  0.127421D+02  0.250263D+02 -0.106495D+02  0.333932D+01
      5  -0.165501D+01 -0.129040D+02 -0.421584D+01  0.145509D+01  0.145000D+01
      6  -0.511424D+01 -0.118803D+02 -0.548314D+01  0.220890D+01  0.513875D+01
                56            57            58            59            60 
      1   0.393428D+01  0.107068D+02  0.219818D+01  0.155276D+02  0.314920D+01
      2  -0.555439D+01 -0.199254D+02 -0.434260D+00 -0.228344D+02 -0.140105D+02
      3   0.162011D+01  0.921854D+01 -0.176392D+01  0.730688D+01  0.108613D+02
      4  -0.678261D+01  0.561896D+00 -0.268979D+01 -0.102998D+02 -0.201011D+02
      5  -0.326497D+01 -0.105614D+01 -0.341483D+01 -0.872019D+01 -0.411492D+01
      6  -0.177281D+02  0.357161D+01 -0.172425D+02 -0.191147D+02 -0.110955D+02
                61            62            63            64            65 
      1   0.139579D+02  0.787354D+01  0.978555D+01  0.275954D+01 -0.470241D+01
      2  -0.221337D+02 -0.183718D+02 -0.132627D+02 -0.219668D+01  0.386637D+01
      3   0.817577D+01  0.104983D+02  0.347719D+01 -0.562863D+00  0.836032D+00
      4   0.204429D+01 -0.241461D+02  0.155955D+01  0.722323D+01  0.109536D+01
      5  -0.434917D+00 -0.350682D+01 -0.105827D+01  0.278864D+01 -0.288162D+01
      6   0.411238D+01 -0.162094D+02 -0.106378D+01 -0.656656D+01  0.800960D+01
                66            67            68            69            70 
      1  -0.100325D+01 -0.431016D+01 -0.996530D+01 -0.480482D+01 -0.194016D+01
      2   0.107993D+02  0.406480D+00  0.112514D+02  0.756793D+01  0.987293D+01
      3  -0.979606D+01  0.390368D+01 -0.128605D+01 -0.276311D+01 -0.793277D+01
      4  -0.243272D+01 -0.265369D+01  0.133646D+02  0.115401D+02 -0.261785D+01
      5  -0.309594D+01 -0.189829D+01  0.156180D+01  0.273154D+01 -0.197133D+01
      6  -0.290099D+00  0.883960D+01  0.116849D+02  0.581263D+01 -0.173742D+01
                71            72            73            74            75 
      1  -0.265410D+01  0.796598D+00  0.132285D+02 -0.129620D+02  0.117117D+02
      2   0.248882D+01  0.584131D+01 -0.143970D+02  0.930034D+01 -0.108687D+02
      3   0.165281D+00 -0.663791D+01  0.116850D+01  0.366169D+01 -0.843007D+00
      4   0.620664D+01 -0.136821D+01 -0.520097D+01 -0.448353D+00 -0.971035D+00
      5   0.174115D+01 -0.520784D+01  0.105005D+02 -0.295551D+01  0.747623D+01
      6   0.336440D+01 -0.400539D+01 -0.745408D+01 -0.138463D+01 -0.142151D+01
                76            77            78            79            80 
      1  -0.656406D+01  0.210086D+01  0.190048D+01  0.539061D+01  0.307770D-01
      2   0.469245D+01 -0.851219D+01  0.236697D+00 -0.548694D+01 -0.737238D+00
      3   0.187161D+01  0.641133D+01 -0.213717D+01  0.963305D-01  0.706461D+00
      4  -0.382851D+00  0.113489D+02  0.171565D+01 -0.110619D+01  0.140390D+00
      5  -0.196888D+01  0.258031D+01 -0.167900D+01  0.568902D+01  0.290521D+00
      6  -0.285980D+00  0.444859D+01  0.357516D+01 -0.187191D+00  0.337220D+01
                81            82            83            84            85 
      1   0.102533D+02 -0.642621D+01 -0.171810D+01 -0.984551D+01 -0.846083D+00
      2   0.441623D+01  0.102975D+02  0.432728D+01  0.714499D+01  0.112044D+00
      3  -0.146695D+02 -0.387129D+01 -0.260918D+01  0.270052D+01  0.734039D+00
      4   0.131644D+01 -0.106562D+02  0.548820D+01 -0.817236D+01  0.913699D+01
      5  -0.699352D+01 -0.259682D+01 -0.113045D+02  0.252529D+01 -0.107854D+02
      6   0.250331D+01 -0.376541D+01  0.511949D+01 -0.633255D+01  0.414728D+01
                86            87            88            89            90 
      1  -0.639548D+01 -0.538348D+01 -0.824891D+01 -0.558043D+01  0.607505D+01
      2   0.448220D+01 -0.450478D+01  0.422498D+01 -0.124356D+01  0.175185D+01
      3   0.191328D+01  0.988825D+01  0.402392D+01  0.682398D+01 -0.782690D+01
      4  -0.715248D+01  0.941860D+01 -0.333615D+01  0.642261D+01 -0.225958D+01
      5   0.447825D+01 -0.318498D+01  0.188891D+01 -0.891651D+00 -0.111924D+01
      6  -0.313925D+01  0.885444D+00 -0.432337D+01 -0.498013D-02  0.622167D+01
                91            92            93            94            95 
      1  -0.689451D+01 -0.144765D+01  0.134244D+02 -0.165118D+01 -0.111167D+01
      2   0.152161D+01  0.174858D+01 -0.174840D+02  0.542040D+01  0.114648D+01
      3   0.537290D+01 -0.300927D+00  0.405952D+01 -0.376922D+01 -0.348181D-01
      4   0.117575D+02 -0.805484D+01  0.828880D+01 -0.132778D+02  0.899699D+01
      5   0.349553D+01  0.130592D+02 -0.847253D+01  0.137535D+02 -0.122020D+02
      6   0.154402D+01 -0.148109D+02  0.921967D+01 -0.151789D+02  0.117890D+02
                96            97            98            99           100 
      1   0.672129D+01  0.160622D+02  0.772839D+01 -0.868141D+01  0.289151D+01
      2   0.663305D+01 -0.202215D+02  0.473536D+01  0.452065D+01 -0.245966D+01
      3  -0.133543D+02  0.415926D+01 -0.124637D+02  0.416077D+01 -0.431849D+00
      4  -0.202606D+02  0.130037D+02 -0.249995D+02  0.105399D+02 -0.327791D+01
      5   0.165222D+01 -0.129088D+02  0.416668D+01 -0.148448D+01 -0.144033D+01
      6  -0.504881D+01  0.117911D+02 -0.539198D+01  0.221584D+01  0.495829D+01
               101           102           103           104           105 
      1  -0.386981D+01 -0.107399D+02 -0.217688D+01  0.153391D+02  0.290827D+01
      2   0.545224D+01  0.200247D+02  0.377550D+00 -0.225233D+02 -0.136743D+02
      3  -0.158243D+01 -0.928479D+01  0.179933D+01  0.718423D+01  0.107661D+02
      4  -0.691025D+01  0.323974D+00 -0.273985D+01  0.102731D+02  0.201761D+02
      5  -0.338501D+01 -0.108802D+01 -0.353540D+01  0.875907D+01  0.418412D+01
      6   0.178611D+02 -0.343688D+01  0.173420D+02 -0.188740D+02 -0.111451D+02
               106           107           108           109           110 
      1  -0.140261D+02  0.760361D+01  0.980544D+01  0.275952D+01  0.472357D+01
      2   0.222575D+02 -0.180143D+02 -0.133334D+02 -0.224067D+01 -0.386208D+01
      3  -0.823139D+01  0.104107D+02  0.352798D+01 -0.518850D+00 -0.861495D+00
      4   0.177673D+01  0.242838D+02 -0.136369D+01 -0.719574D+01  0.115747D+01
      5  -0.453609D+00  0.362101D+01  0.108163D+01 -0.276728D+01 -0.285195D+01
      6  -0.394356D+01 -0.163026D+02 -0.113690D+01 -0.649505D+01 -0.808704D+01
               111           112           113           114           115 
      1   0.103162D+01  0.437958D+01 -0.978234D+01 -0.470770D+01  0.196956D+01
      2  -0.108259D+02 -0.460959D+00  0.110483D+02  0.739220D+01 -0.988924D+01
      3   0.979428D+01 -0.391863D+01 -0.126599D+01 -0.268450D+01  0.791967D+01
      4  -0.232548D+01 -0.260605D+01 -0.134197D+02 -0.115762D+02 -0.254234D+01
      5  -0.306296D+01 -0.186193D+01 -0.160961D+01 -0.276745D+01 -0.194844D+01
      6   0.224317D+00 -0.890447D+01  0.115977D+02  0.583160D+01  0.168794D+01
               116           117           118           119           120 
      1  -0.260474D+01  0.790960D+00  0.313915D+02 -0.244199D+01  0.103105D+02
      2   0.237296D+01  0.589247D+01 -0.178463D+02  0.511336D+01 -0.729590D+01
      3   0.231778D+00 -0.668343D+01 -0.135452D+02 -0.267137D+01 -0.301463D+01
      4  -0.623693D+01  0.131237D+01  0.158613D+02  0.733618D+01  0.322161D+01
      5  -0.177482D+01  0.521015D+01  0.104651D+02 -0.176045D+01  0.946973D+01
      6   0.339733D+01 -0.396296D+01  0.504588D+01 -0.692556D+00  0.533986D+01
               121           122           123           124           125 
      1  -0.844400D+01  0.634877D+01 -0.414474D+01  0.170494D+02 -0.312796D+01
      2   0.740871D+01 -0.569273D+01  0.259369D+01 -0.125073D+02  0.451069D+01
      3   0.103528D+01 -0.656041D+00  0.155105D+01 -0.454214D+01 -0.138272D+01
      4   0.343965D+01 -0.425679D+00 -0.927387D-03  0.739677D+01  0.209530D+01
      5  -0.335132D+01  0.227246D+01 -0.222017D+01  0.131627D+02  0.185358D+00
      6  -0.165469D+01  0.580165D+00  0.283693D+00  0.757596D+01  0.197520D+01
               126           127           128           129           130 
      1   0.913024D+01  0.141176D+02  0.660335D+01 -0.361209D+01  0.273426D+01
      2  -0.763533D+01 -0.712613D-01  0.445197D+01 -0.821706D+00  0.100269D+02
      3  -0.149490D+01 -0.140463D+02 -0.110553D+02  0.443379D+01 -0.127611D+02
      4   0.563365D+01  0.279114D+02  0.226932D+02 -0.121222D+02  0.250925D+02
      5   0.122696D+02 -0.109716D+02 -0.900973D+01  0.986175D+01 -0.871165D+01
      6   0.777284D+01 -0.106975D+02 -0.923727D+01  0.822732D+01 -0.115812D+02
               131           132           133           134           135 
      1  -0.618193D+01  0.127009D+01 -0.270909D+01  0.145893D+01 -0.664069D-02
      2   0.232564D+02 -0.702453D+01 -0.305149D+01 -0.811140D+01  0.208457D+01
      3  -0.170745D+02  0.575444D+01  0.576059D+01  0.665247D+01 -0.207793D+01
      4   0.316561D+02 -0.141504D+02 -0.190929D+02 -0.196693D+02  0.165980D+02
      5  -0.110008D+02  0.791212D+01  0.145629D+02  0.118323D+02 -0.145845D+02
      6  -0.166250D+02  0.124861D+02  0.141262D+02  0.163996D+02 -0.171353D+02
               136           137           138           139           140 
      1  -0.516459D+01  0.854391D+01 -0.372225D+01  0.489234D+01 -0.155235D+02
      2   0.795210D+01 -0.154162D+02  0.622766D+01 -0.814873D+01  0.257793D+02
      3  -0.278751D+01  0.687227D+01 -0.250542D+01  0.325638D+01 -0.102558D+02
      4  -0.146461D+02  0.811899D+01 -0.601367D+01  0.636681D+01 -0.487777D+01
      5   0.148009D+01 -0.348227D+00  0.148439D+01 -0.370889D+00  0.924389D+00
      6  -0.750261D+01  0.656330D+01 -0.750476D+01  0.447818D+01 -0.716789D+01
               141           142           143           144           145 
      1   0.460945D+01 -0.642672D+01  0.974186D+01 -0.843867D+01 -0.173521D+01
      2  -0.631378D+01  0.707651D+01 -0.139623D+02  0.921756D+01  0.803609D+01
      3   0.170433D+01 -0.649792D+00  0.422043D+01 -0.778890D+00 -0.630088D+01
      4   0.377197D+01 -0.877615D+01  0.579892D+01 -0.497647D+01  0.118753D+02
      5   0.397862D+00  0.182456D+01  0.508580D+00 -0.238223D+00  0.328602D+01
      6   0.826181D+01 -0.702618D+01  0.137149D+02 -0.152913D+02  0.542638D+01
               146           147           148           149           150 
      1  -0.251420D+01 -0.177734D+01 -0.372754D+01 -0.318547D+02 -0.110534D+02
      2   0.110382D+02  0.453066D+01  0.106066D+02  0.590954D+02  0.180521D+02
      3  -0.852395D+01 -0.275332D+01 -0.687906D+01 -0.272407D+02 -0.699864D+01
      4   0.183976D+02  0.628998D+01  0.131019D+02  0.250057D+02  0.911206D+01
      5   0.515167D+01  0.448397D+01  0.310922D+01  0.868249D+01  0.500736D+01
      6   0.771549D+01  0.458628D+01  0.690133D+01  0.258104D+02  0.167931D+02
               151           152           153           154           155 
      1  -0.293474D+01 -0.168922D+02 -0.121186D+02 -0.526858D+01 -0.857587D+01
      2   0.581949D+01  0.257629D+02  0.148368D+02  0.806073D+01  0.154413D+02
      3  -0.288475D+01 -0.887072D+01 -0.271828D+01 -0.279215D+01 -0.686543D+01
      4   0.680246D+01  0.146800D+02  0.855039D+01  0.145114D+02  0.812312D+01
      5   0.435985D+01  0.780559D+01  0.679727D+01 -0.142331D+01 -0.332644D+00
      6   0.563570D+01  0.250676D+02  0.194340D+02 -0.742137D+01 -0.658653D+01
               156           157           158           159           160 
      1   0.376248D+01 -0.490465D+01 -0.156984D+02  0.464191D+01  0.647198D+01
      2  -0.628578D+01  0.813871D+01  0.260678D+02 -0.636480D+01 -0.713402D+01
      3   0.252330D+01 -0.323406D+01 -0.103693D+02  0.172289D+01  0.662039D+00
      4  -0.592989D+01  0.639864D+01  0.478502D+01 -0.376133D+01 -0.867137D+01
      5   0.144690D+01 -0.359995D+00 -0.884730D+00 -0.429184D+00  0.178726D+01
      6   0.744633D+01 -0.449453D+01 -0.720289D+01  0.830887D+01  0.694008D+01
               161           162           163           164           165 
      1   0.981410D+01 -0.847252D+01 -0.166110D+01  0.249816D+01  0.178141D+01
      2  -0.140636D+02  0.929634D+01  0.801253D+01 -0.110927D+02 -0.457258D+01
      3   0.424947D+01 -0.823819D+00 -0.635143D+01  0.859450D+01  0.279117D+01
      4  -0.575749D+01  0.487398D+01 -0.120618D+02  0.185086D+02  0.638989D+01
      5  -0.557497D+00  0.302345D+00 -0.336741D+01  0.523038D+01  0.455114D+01
      6   0.137579D+02 -0.152331D+02  0.550916D+01 -0.782265D+01 -0.468200D+01
               166           167           168           169           170 
      1   0.373708D+01 -0.315204D+02 -0.109804D+02  0.295382D+01 -0.167809D+02
      2  -0.106758D+02  0.585629D+02  0.179509D+02 -0.587607D+01  0.256180D+02
      3   0.693876D+01 -0.270425D+02 -0.697046D+01  0.292224D+01 -0.883709D+01
      4   0.131951D+02 -0.251760D+02 -0.922023D+01  0.692950D+01 -0.148576D+02
      5   0.317165D+01 -0.876652D+01 -0.507261D+01  0.443780D+01 -0.792001D+01
      6  -0.699239D+01  0.257430D+02  0.167930D+02 -0.575890D+01  0.250779D+02
               171           172           173           174           175 
      1  -0.120835D+02  0.315083D+02  0.248779D+01 -0.102958D+02  0.850007D+01
      2   0.147749D+02 -0.179505D+02 -0.510661D+01  0.729780D+01 -0.741270D+01
      3  -0.269143D+01 -0.135578D+02  0.261882D+01  0.299797D+01 -0.108738D+01
      4  -0.869981D+01 -0.157063D+02  0.730046D+01  0.313410D+01  0.343104D+01
      5  -0.691780D+01 -0.104438D+02 -0.179894D+01  0.945752D+01 -0.337860D+01
      6   0.195127D+02  0.498436D+01  0.705847D+00 -0.528860D+01  0.166069D+01
               176           177           178           179           180 
      1   0.647809D+01 -0.420960D+01 -0.170357D+02 -0.323536D+01  0.916750D+01
      2  -0.587669D+01  0.266841D+01  0.125134D+02  0.462636D+01 -0.770388D+01
      3  -0.601403D+00  0.154120D+01  0.452238D+01 -0.139100D+01 -0.146362D+01
      4   0.675082D+00 -0.702327D-01  0.724668D+01 -0.217259D+01 -0.548863D+01
      5  -0.239457D+01  0.231425D+01  0.131492D+02 -0.479696D-01 -0.122966D+02
      6   0.596777D+00  0.245154D+00 -0.750152D+01  0.191288D+01  0.770619D+01
               181           182           183           184           185 
      1   0.143644D+02 -0.669441D+01  0.369012D+01 -0.284287D+01 -0.598590D+01
      2  -0.204011D+00 -0.440587D+01  0.775036D+00 -0.995537D+01  0.230183D+02
      3  -0.141604D+02  0.111003D+02 -0.446515D+01  0.127982D+02 -0.170324D+02
      4  -0.280625D+02  0.227510D+02 -0.121733D+02  0.251678D+02 -0.316374D+02
      5   0.110655D+02 -0.905539D+01  0.990942D+01 -0.875805D+01  0.109896D+02
      6  -0.107290D+02  0.923221D+01 -0.822750D+01  0.115735D+02 -0.165046D+02
               186           187           188           189           190 
      1   0.117017D+01  0.283225D+01  0.131534D+01  0.111366D+00  0.198025D+02
      2  -0.691574D+01  0.295522D+01 -0.794860D+01  0.197423D+01 -0.161352D+02
      3   0.574557D+01 -0.578747D+01  0.663326D+01 -0.208560D+01 -0.366731D+01
      4   0.141343D+02 -0.191518D+02  0.196196D+02 -0.165832D+02  0.152439D+01
      5  -0.791608D+01  0.146321D+02 -0.118220D+02  0.146156D+02  0.150803D+02
      6   0.124200D+02 -0.141140D+02  0.162919D+02 -0.170520D+02  0.821621D+00
               191           192           193           194           195 
      1   0.528903D+01  0.735651D+01  0.781592D+01  0.553271D+01  0.362621D+01
      2  -0.700335D+01 -0.896392D+01 -0.865773D+01 -0.631061D+01 -0.578725D+01
      3   0.171432D+01  0.160741D+01  0.841809D+00  0.777895D+00  0.216104D+01
      4   0.606655D+01  0.178691D+01  0.130651D+01  0.720540D+01  0.825803D+00
      5   0.465907D+01  0.101305D+02  0.106324D+02  0.320761D+01  0.711976D+01
      6   0.141992D+01 -0.541357D+00  0.990155D+00  0.283680D+01  0.341193D+00
               196           197           198           199           200 
      1   0.325541D+01  0.127440D+01  0.200666D+01 -0.254733D+01 -0.226338D+01
      2  -0.653382D+01 -0.203959D+01 -0.779411D+01 -0.154377D+01  0.127319D+01
      3   0.327841D+01  0.765195D+00  0.578746D+01  0.409110D+01  0.990196D+00
      4   0.292043D+01  0.508804D+00  0.202272D+01  0.587852D+01 -0.270653D+01
      5   0.760279D+01  0.354942D+01  0.855149D+01 -0.238262D+01  0.209524D+01
      6   0.436921D+00  0.135830D+01 -0.556362D+00 -0.897761D-01 -0.309180D+01
               201           202           203           204           205 
      1   0.688631D+01 -0.532594D+00 -0.494970D+01  0.605452D+01  0.268837D+01
      2   0.109220D+01 -0.422612D+00  0.203289D+01 -0.884038D+00 -0.133643D+01
      3  -0.797852D+01  0.955206D+00  0.291681D+01 -0.517049D+01 -0.135195D+01
      4   0.322713D+00  0.135254D+01 -0.171596D+01  0.470678D+00 -0.295161D+01
      5  -0.257094D+00  0.380718D+00  0.939626D+00 -0.174044D+01  0.410885D+01
      6   0.560728D+01 -0.552728D+00 -0.578261D+01  0.847290D+01 -0.169220D+00
               206           207           208           209           210 
      1   0.526930D+01 -0.175029D+02 -0.436714D+00 -0.683373D+01 -0.424641D+01
      2  -0.192616D+00 -0.109916D+02  0.426246D-01  0.884410D+01  0.173715D+01
      3  -0.507668D+01  0.284945D+02  0.394089D+00 -0.201038D+01  0.250926D+01
      4   0.291465D+01  0.635419D+00  0.173968D+02  0.715060D+01  0.791659D+01
      5  -0.208420D+01  0.107783D+02  0.888573D+01  0.544709D+01  0.546346D+01
      6   0.704619D+01 -0.167450D+02  0.936180D+01  0.104894D+02  0.975175D+01
               211           212           213           214           215 
      1  -0.186317D+01 -0.299683D+01 -0.164898D+01 -0.163286D+01 -0.121125D+01
      2   0.273423D+01  0.656747D+01  0.124939D+01 -0.666440D+00 -0.136223D+01
      3  -0.871059D+00 -0.357064D+01  0.399590D+00  0.229930D+01  0.257348D+01
      4   0.757495D+01  0.755876D+01  0.473204D+01  0.432814D+01  0.393222D+01
      5   0.297457D+01  0.299228D+01  0.223863D+01  0.456167D+01  0.213286D+01
      6   0.524457D+01  0.475789D+01  0.509326D+01  0.539004D+01  0.463325D+01
               216           217           218           219           220 
      1  -0.374598D+01 -0.493597D+00  0.306909D+01  0.231071D+01  0.213532D+00
      2  -0.192276D+01 -0.348598D+01 -0.399554D+01  0.602920D+01 -0.128146D+01
      3   0.566874D+01  0.397958D+01  0.926456D+00 -0.833991D+01  0.106793D+01
      4   0.529185D+01 -0.349513D+01  0.412946D+01  0.423397D+01  0.512188D+00
      5   0.358019D+01 -0.474571D+01  0.170648D+01  0.808233D+01  0.306871D+00
      6   0.800437D+01  0.422209D+01 -0.287163D+01 -0.678395D+01 -0.680667D-01
               221           222           223           224           225 
      1   0.270536D+01  0.158897D+01  0.171285D+01 -0.446869D+01 -0.113812D+02
      2  -0.563439D+01  0.230965D+01  0.348594D+01  0.294627D+01 -0.157186D+02
      3   0.292903D+01 -0.389862D+01 -0.519880D+01  0.152242D+01  0.270998D+02
      4   0.192255D+01  0.700636D+00  0.352083D+01 -0.177152D+01 -0.265504D+01
      5  -0.134753D+01  0.901545D+00  0.550944D+01 -0.101693D+01 -0.948181D+01
      6  -0.204086D+01  0.562299D+00 -0.311884D+01  0.593345D+01  0.179444D+02
               226           227           228           229           230 
      1  -0.790648D+00 -0.390506D+00 -0.136393D+01 -0.553518D+01 -0.114146D+02
      2   0.428114D+01 -0.224124D+01  0.172010D+01  0.150577D+01  0.207267D+02
      3  -0.349049D+01  0.263174D+01 -0.356165D+00  0.402942D+01 -0.931213D+01
      4  -0.287690D+01  0.528825D+01  0.286087D+00  0.803319D+01 -0.203616D+02
      5  -0.156148D+01 -0.307101D+00 -0.902596D-01 -0.458751D+01  0.258231D+01
      6   0.420749D+00  0.498484D+00 -0.142971D+00  0.350713D+01 -0.117591D+02
               231           232           233           234           235 
      1   0.156328D+01 -0.510093D+01  0.203954D+01 -0.399665D+01 -0.272679D+01
      2  -0.106765D+00  0.351488D+01  0.935053D+00  0.228033D+01 -0.615248D-01
      3  -0.145652D+01  0.158605D+01 -0.297459D+01  0.171631D+01  0.278831D+01
      4   0.398056D+01  0.176737D+01 -0.206054D+01 -0.184609D+01  0.100204D+01
      5  -0.443955D+01 -0.127981D+01 -0.177525D+01 -0.331254D-01  0.487037D-01
      6   0.520131D+01  0.174153D+00  0.264114D+01 -0.182741D+01  0.128070D+01
               236           237           238           239           240 
      1   0.889102D+00  0.341709D+01  0.351809D+01 -0.341049D+01  0.104736D+01
      2  -0.161586D+01  0.954910D+00 -0.361252D+01  0.692523D+00 -0.315137D+01
      3   0.726758D+00 -0.437200D+01  0.944282D-01  0.271796D+01  0.210401D+01
      4  -0.500113D+00  0.156406D+00  0.724896D+00 -0.862089D+00  0.222216D+01
      5   0.125504D+01  0.175961D+01  0.180684D+01  0.149092D+01  0.168627D+01
      6  -0.747426D+00  0.176344D+01  0.394499D-01 -0.187315D+01  0.442436D+01
               241           242           243           244           245 
      1   0.397536D+01  0.369487D+01 -0.200201D+02 -0.304000D+00  0.684101D+01
      2  -0.550477D+01  0.610650D+00 -0.154547D+02 -0.970219D-01 -0.887019D+01
      3   0.152941D+01 -0.430552D+01  0.354748D+02  0.401022D+00  0.202918D+01
      4  -0.147967D+01  0.332742D+01 -0.245367D+01 -0.174578D+02  0.718504D+01
      5   0.641836D+01 -0.362413D+01  0.207857D+02 -0.897810D+01  0.544850D+01
      6  -0.129206D+01  0.520331D+01 -0.966625D+01  0.939520D+01 -0.104721D+02
               246           247           248           249           250 
      1   0.419077D+01  0.185031D+01 -0.289686D+01 -0.161335D+01  0.159920D+01
      2  -0.167688D+01 -0.274042D+01  0.645012D+01  0.121768D+01  0.710966D+00
      3  -0.251389D+01  0.890109D+00 -0.355326D+01  0.395671D+00 -0.231017D+01
      4   0.796995D+01  0.755524D+01 -0.754370D+01 -0.471908D+01  0.435442D+01
      5   0.552080D+01  0.295866D+01 -0.298864D+01 -0.223305D+01  0.459879D+01
      6  -0.976284D+01 -0.522681D+01  0.469010D+01  0.506286D+01 -0.539485D+01
               251           252           253           254           255 
      1  -0.119899D+01 -0.372073D+01 -0.500769D+00 -0.311561D+01 -0.235193D+01
      2  -0.137670D+01 -0.195447D+01 -0.348918D+01  0.403129D+01 -0.601530D+01
      3   0.257569D+01  0.567521D+01  0.398995D+01 -0.915674D+00  0.836723D+01
      4  -0.392177D+01 -0.530335D+01  0.350279D+01  0.412907D+01  0.426969D+01
      5  -0.213137D+01 -0.361285D+01  0.474038D+01  0.172026D+01  0.808081D+01
      6   0.462789D+01  0.801499D+01  0.424551D+01  0.291085D+01  0.684397D+01
               256           257           258           259           260 
      1  -0.233354D+00  0.270772D+01  0.157224D+01 -0.172734D+01 -0.450100D+01
      2   0.129782D+01 -0.562144D+01  0.226988D+01 -0.348199D+01  0.293865D+01
      3  -0.106447D+01  0.291371D+01 -0.384212D+01  0.520933D+01  0.156235D+01
      4   0.535323D+00 -0.186438D+01 -0.684316D+00  0.353592D+01  0.176669D+01
      5   0.320005D+00  0.136404D+01 -0.869618D+00  0.550564D+01  0.102701D+01
      6   0.964814D-01 -0.200631D+01  0.599546D+00  0.313739D+01  0.597276D+01
               261           262           263           264           265 
      1  -0.113991D+02  0.199128D+02 -0.527819D+01 -0.737950D+01 -0.778047D+01
      2  -0.156693D+02 -0.161887D+02  0.694013D+01  0.898980D+01  0.857731D+01
      3   0.270683D+02 -0.372409D+01 -0.166194D+01 -0.161030D+01 -0.796845D+00
      4   0.269720D+01 -0.146534D+01  0.617636D+01  0.168093D+01  0.134317D+01
      5   0.944243D+01 -0.150823D+02  0.454414D+01  0.101363D+02  0.105357D+02
      6   0.180169D+02  0.784404D+00 -0.139413D+01  0.556542D+00 -0.953698D+00
               266           267           268           269           270 
      1   0.550008D+01  0.362629D+01 -0.327184D+01  0.128496D+01  0.201443D+01
      2  -0.609392D+01 -0.582377D+01  0.654008D+01 -0.209683D+01 -0.770736D+01
      3   0.593841D+00  0.219748D+01 -0.326824D+01  0.811862D+00  0.569293D+01
      4  -0.747968D+01 -0.622660D+00  0.287216D+01 -0.312022D+00 -0.207170D+01
      5  -0.294160D+01 -0.715382D+01  0.759046D+01 -0.362363D+01 -0.842594D+01
      6   0.275503D+01  0.339099D+00 -0.431042D+00  0.136561D+01 -0.585342D+00
               271           272           273           274           275 
      1  -0.250336D+01  0.226163D+01 -0.688084D+01  0.516957D+00 -0.492101D+01
      2  -0.159126D+01 -0.129700D+01 -0.109434D+01  0.421417D+00  0.200605D+01
      3   0.409463D+01 -0.964627D+00  0.797519D+01 -0.938374D+00  0.291496D+01
      4  -0.586221D+01 -0.272323D+01  0.311900D+00  0.131408D+01  0.169987D+01
      5   0.236098D+01  0.210150D+01 -0.243936D+00  0.398078D+00 -0.924762D+00
      6  -0.790067D-01  0.308758D+01 -0.559631D+01  0.557761D+00 -0.573065D+01
               276           277           278           279           280 
      1   0.599664D+01 -0.266755D+01  0.523996D+01 -0.174959D+02  0.613393D+01
      2  -0.880791D+00  0.133290D+01 -0.206461D+00 -0.110684D+02 -0.321080D+01
      3  -0.511584D+01  0.133464D+01 -0.503350D+01  0.285643D+02 -0.292313D+01
      4  -0.464357D+00 -0.296686D+01 -0.292153D+01 -0.652110D+00  0.428891D+01
      5   0.171357D+01  0.412260D+01  0.207875D+01 -0.108009D+02  0.765209D+01
      6   0.841868D+01  0.188649D+00  0.702238D+01 -0.167480D+02  0.200696D+01
               281           282           283           284           285 
      1   0.330357D+01  0.646651D+01  0.755046D+01 -0.514018D+00 -0.192887D+01
      2  -0.115150D+01 -0.353615D+01 -0.379604D+01  0.354469D+01 -0.418314D+00
      3  -0.215207D+01 -0.293036D+01 -0.375443D+01 -0.303067D+01  0.234718D+01
      4   0.517123D+01  0.182172D+01  0.114623D+02  0.241215D+02  0.122159D+02
      5   0.239265D+01  0.485406D+01  0.627604D+01  0.130434D+02  0.143552D+02
      6   0.839795D+00  0.720038D+00  0.425768D+01  0.117526D+02  0.821251D+01
               286           287           288           289           290 
      1   0.801242D+01 -0.187121D+01 -0.925813D+00  0.640126D+02 -0.160781D+02
      2  -0.593151D+01 -0.919582D+00 -0.372680D+01 -0.350970D+02  0.779278D+01
      3  -0.208091D+01  0.279079D+01  0.465262D+01 -0.289156D+02  0.828535D+01
      4   0.352760D+01  0.889817D+01  0.877256D+01 -0.209767D+02  0.130887D+02
      5   0.845759D+01  0.922548D+01  0.132794D+02  0.267096D+02 -0.713259D+01
      6   0.222187D+01  0.742946D+01  0.679990D+01 -0.454290D+01  0.299721D+01
               291           292           293           294           295 
      1   0.165051D+02 -0.256251D+02  0.125297D+02 -0.687772D+01  0.145749D+02
      2  -0.106736D+02  0.127715D+02 -0.515276D+01  0.463429D+01 -0.113580D+02
      3  -0.583151D+01  0.128536D+02 -0.737690D+01  0.224343D+01 -0.321694D+01
      4  -0.612711D+01  0.199025D+02 -0.133833D+02  0.871950D+01 -0.574389D+01
      5   0.167385D+02 -0.121924D+02  0.967168D+01 -0.767900D+01  0.205689D+02
      6  -0.192150D+01  0.534454D+01 -0.346256D+01  0.424746D+01 -0.307663D+01
               296           297           298           299           300 
      1  -0.363439D+01  0.115009D+02  0.637720D+02  0.162141D+02 -0.163850D+02
      2   0.326596D+01 -0.941387D+01 -0.348572D+02 -0.781565D+01  0.105614D+02
      3   0.368436D+00 -0.208700D+01 -0.289149D+02 -0.839846D+01  0.582363D+01
      4   0.578971D+01 -0.560204D+01  0.212772D+02  0.132466D+02 -0.617822D+01
      5  -0.596059D+01  0.128556D+02 -0.265188D+02 -0.716231D+01  0.166338D+02
      6   0.369811D+01 -0.273579D+01 -0.459467D+01 -0.302272D+01  0.195831D+01
               301           302           303           304           305 
      1   0.257405D+02  0.126286D+02 -0.686098D+01 -0.144640D+02 -0.363281D+01
      2  -0.127528D+02 -0.513249D+01  0.459465D+01  0.112450D+02  0.325237D+01
      3  -0.129877D+02 -0.749608D+01  0.226633D+01  0.321896D+01  0.380447D+00
      4   0.201227D+02  0.136074D+02 -0.876844D+01 -0.580373D+01 -0.582773D+01
      5  -0.122015D+02 -0.970900D+01  0.770494D+01  0.204673D+02  0.601250D+01
      6  -0.538141D+01 -0.351970D+01  0.426745D+01  0.313358D+01  0.372433D+01
               306           307           308           309           310 
      1   0.114348D+02  0.620411D+01 -0.338277D+01 -0.645986D+01 -0.770710D+01
      2  -0.932831D+01 -0.320902D+01  0.122020D+01  0.353838D+01  0.392463D+01
      3  -0.210645D+01 -0.299509D+01  0.216257D+01  0.292149D+01  0.378246D+01
      4   0.567420D+01 -0.432748D+01  0.527970D+01  0.184590D+01  0.115736D+02
      5  -0.127588D+02 -0.766593D+01  0.245943D+01  0.491610D+01  0.638056D+01
      6  -0.277242D+01  0.201099D+01 -0.877654D+00 -0.746252D+00 -0.428577D+01
               311           312           313           314           315 
      1  -0.325885D+00 -0.179676D+01 -0.802927D+01 -0.179578D+01 -0.828732D+00
      2   0.338724D+01 -0.521758D+00  0.595463D+01 -0.977535D+00 -0.379060D+01
      3  -0.306136D+01  0.231852D+01  0.207465D+01  0.277332D+01  0.461934D+01
      4  -0.241189D+02 -0.122269D+02  0.352917D+01 -0.889835D+01 -0.877237D+01
      5  -0.130553D+02 -0.143874D+02  0.851364D+01 -0.923332D+01 -0.133056D+02
      6   0.116697D+02  0.813976D+01 -0.223539D+01  0.737694D+01  0.673834D+01
               316           317           318           319           320 
      1  -0.268693D+01 -0.895196D+00 -0.340301D+01 -0.353619D+01 -0.342078D+01
      2  -0.945719D-01  0.160952D+01 -0.935475D+00  0.363318D+01  0.707203D+00
      3   0.278150D+01 -0.714322D+00  0.433849D+01 -0.969813D-01  0.271357D+01
      4  -0.101378D+01 -0.516975D+00  0.157661D+00  0.690942D+00  0.833210D+00
      5  -0.741003D-01  0.125735D+01  0.178750D+01  0.182746D+01 -0.147506D+01
      6   0.128807D+01  0.752592D+00 -0.175772D+01 -0.237325D-01 -0.185047D+01
               321           322           323           324           325 
      1   0.101464D+01 -0.396384D+01  0.366139D+01 -0.200102D+02 -0.842983D+00
      2  -0.318913D+01  0.550866D+01  0.596035D+00 -0.154791D+02  0.428304D+01
      3   0.217450D+01 -0.154482D+01 -0.425742D+01  0.354893D+02 -0.344006D+01
      4  -0.220971D+01 -0.149839D+01 -0.332245D+01  0.241771D+01  0.282529D+01
      5  -0.173806D+01  0.642666D+01  0.360648D+01 -0.208137D+02  0.157195D+01
      6   0.439813D+01  0.130007D+01  0.519762D+01 -0.967218D+01  0.416459D+00
               326           327           328           329           330 
      1   0.390136D+00  0.134680D+01  0.550694D+01 -0.115484D+02  0.163557D+01
      2   0.222538D+01 -0.170057D+01 -0.147831D+01  0.208255D+02 -0.197880D+00
      3  -0.261552D+01  0.353771D+00 -0.402864D+01 -0.927710D+01 -0.143769D+01
      4   0.517849D+01  0.294435D+00  0.795836D+01  0.203384D+02 -0.399052D+01
      5  -0.288794D+00 -0.988838D-01 -0.456382D+01 -0.260563D+01  0.442678D+01
      6  -0.433249D+00  0.132313D+00 -0.346227D+01 -0.118651D+02  0.523419D+01
               331           332           333 
      1   0.507054D+01  0.206905D+01 -0.401228D+01
      2  -0.348961D+01  0.892997D+00  0.227562D+01
      3  -0.158093D+01 -0.296205D+01  0.173665D+01
      4   0.177196D+01  0.204410D+01  0.183535D+01
      5  -0.126849D+01  0.176159D+01  0.140710D-01
      6  -0.175597D+00  0.265961D+01 -0.185328D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 04:20:44 2021, MaxMem= 10737418240 cpu:          202596.8 elap:           12677.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.92501 -14.92499 -14.92497 -14.92496 -14.92491
 Alpha  occ. eigenvalues --  -14.92487 -10.74052 -10.74051 -10.74029 -10.74028
 Alpha  occ. eigenvalues --  -10.74005 -10.73982  -3.78204  -2.54966  -2.54960
 Alpha  occ. eigenvalues --   -2.54536  -1.47181  -1.46038  -1.46017  -1.43457
 Alpha  occ. eigenvalues --   -1.43438  -1.43372  -1.25263  -1.25044  -1.25035
 Alpha  occ. eigenvalues --   -1.13191  -1.12695  -1.12610  -1.05531  -1.05401
 Alpha  occ. eigenvalues --   -1.04564  -1.03322  -1.03311  -1.03145  -1.02204
 Alpha  occ. eigenvalues --   -1.02027  -1.01388  -0.95599  -0.95556  -0.94904
 Alpha  occ. eigenvalues --   -0.94495  -0.94202  -0.93974  -0.92047  -0.90942
 Alpha  occ. eigenvalues --   -0.90879  -0.87132  -0.86984  -0.85854  -0.85658
 Alpha  occ. eigenvalues --   -0.85497  -0.84636  -0.82634  -0.81899  -0.81816
 Alpha  occ. eigenvalues --   -0.79475  -0.79461  -0.79266
 Alpha virt. eigenvalues --   -0.40307  -0.40266  -0.33249  -0.31382  -0.30363
 Alpha virt. eigenvalues --   -0.30242  -0.27699  -0.27446  -0.27124  -0.25661
 Alpha virt. eigenvalues --   -0.24960  -0.24254  -0.24012  -0.23468  -0.22922
 Alpha virt. eigenvalues --   -0.22271  -0.22212  -0.21912  -0.21318  -0.21107
 Alpha virt. eigenvalues --   -0.20740  -0.19923  -0.19094  -0.19090  -0.18760
 Alpha virt. eigenvalues --   -0.18358  -0.18170  -0.18166  -0.17887  -0.17304
 Alpha virt. eigenvalues --   -0.16671  -0.16529  -0.16254  -0.16088  -0.15915
 Alpha virt. eigenvalues --   -0.15763  -0.15610  -0.15295  -0.15220  -0.14625
 Alpha virt. eigenvalues --   -0.14488  -0.14323  -0.14109  -0.13938  -0.13725
 Alpha virt. eigenvalues --   -0.13322  -0.13171  -0.12942  -0.12546  -0.12319
 Alpha virt. eigenvalues --   -0.12051  -0.11728  -0.11718  -0.11200  -0.11127
 Alpha virt. eigenvalues --   -0.10878  -0.10860  -0.10660  -0.10469  -0.10286
 Alpha virt. eigenvalues --   -0.09755  -0.09617  -0.09365  -0.09129  -0.08905
 Alpha virt. eigenvalues --   -0.08792  -0.08501  -0.08281  -0.07914  -0.07896
 Alpha virt. eigenvalues --   -0.07463  -0.07396  -0.07379  -0.06923  -0.06804
 Alpha virt. eigenvalues --   -0.06418  -0.05849  -0.05315  -0.05277  -0.05076
 Alpha virt. eigenvalues --   -0.04700  -0.04457  -0.04077  -0.03908  -0.03441
 Alpha virt. eigenvalues --   -0.03340  -0.03320  -0.02684  -0.02536  -0.02487
 Alpha virt. eigenvalues --   -0.01705  -0.01109  -0.01005  -0.00839   0.00096
 Alpha virt. eigenvalues --    0.00569   0.00815   0.01283   0.01289   0.01411
 Alpha virt. eigenvalues --    0.01535   0.02181   0.02905   0.03057   0.03287
 Alpha virt. eigenvalues --    0.03659   0.03859   0.04739   0.05184   0.05669
 Alpha virt. eigenvalues --    0.06684   0.06725   0.06982   0.07433   0.08135
 Alpha virt. eigenvalues --    0.08312   0.08555   0.08953   0.09245   0.09648
 Alpha virt. eigenvalues --    0.10147   0.10198   0.10413   0.10698   0.10747
 Alpha virt. eigenvalues --    0.11372   0.11656   0.11798   0.12298   0.12747
 Alpha virt. eigenvalues --    0.12799   0.13291   0.13725   0.14500   0.14807
 Alpha virt. eigenvalues --    0.15748   0.16166   0.16232   0.16800   0.17197
 Alpha virt. eigenvalues --    0.17393   0.17930   0.18320   0.18923   0.19582
 Alpha virt. eigenvalues --    0.19640   0.20214   0.20471   0.20714   0.21325
 Alpha virt. eigenvalues --    0.21375   0.21578   0.21834   0.21867   0.22597
 Alpha virt. eigenvalues --    0.22995   0.23206   0.23913   0.24435   0.24708
 Alpha virt. eigenvalues --    0.25892   0.25950   0.25959   0.26561   0.26792
 Alpha virt. eigenvalues --    0.27605   0.27913   0.28614   0.29587   0.30024
 Alpha virt. eigenvalues --    0.31233   0.31499   0.31674   0.32059   0.32629
 Alpha virt. eigenvalues --    0.33323   0.33461   0.33474   0.34217   0.34246
 Alpha virt. eigenvalues --    0.34873   0.35230   0.35426   0.36341   0.36398
 Alpha virt. eigenvalues --    0.36604   0.36863   0.37121   0.37338   0.37392
 Alpha virt. eigenvalues --    0.38435   0.38627   0.39082   0.39351   0.39681
 Alpha virt. eigenvalues --    0.40202   0.40920   0.41097   0.41383   0.42087
 Alpha virt. eigenvalues --    0.42664   0.42990   0.43345   0.44103   0.44512
 Alpha virt. eigenvalues --    0.45317   0.46097   0.46194   0.46474   0.46487
 Alpha virt. eigenvalues --    0.46594   0.47004   0.47617   0.48265   0.49162
 Alpha virt. eigenvalues --    0.49226   0.50811   0.51030   0.51170   0.52208
 Alpha virt. eigenvalues --    0.53034   0.53288   0.53790   0.54281   0.54475
 Alpha virt. eigenvalues --    0.55053   0.55201   0.56745   0.56845   0.57190
 Alpha virt. eigenvalues --    0.57550   0.57782   0.58197   0.59005   0.59203
 Alpha virt. eigenvalues --    0.60739   0.61155   0.61186   0.61721   0.62481
 Alpha virt. eigenvalues --    0.62868   0.63109   0.64119   0.64594   0.65404
 Alpha virt. eigenvalues --    0.66479   0.67432   0.67737   0.68703   0.68834
 Alpha virt. eigenvalues --    0.69435   0.69495   0.72529   0.72689   0.73846
 Alpha virt. eigenvalues --    0.73871   0.74403   0.74647   0.76073   0.76807
 Alpha virt. eigenvalues --    0.77326   0.78102   0.78879   0.79129   0.79918
 Alpha virt. eigenvalues --    0.80323   0.82037   0.82221   0.83150   0.85617
 Alpha virt. eigenvalues --    0.85647   0.87427   0.88769   0.89084   0.90025
 Alpha virt. eigenvalues --    0.90933   0.91625   0.92713   0.92871   0.94454
 Alpha virt. eigenvalues --    0.95273   0.96624   0.96808   0.98907   0.99735
 Alpha virt. eigenvalues --    1.00293   1.01774   1.03528   1.04673   1.04692
 Alpha virt. eigenvalues --    1.05239   1.08970   1.09139   1.10816   1.12926
 Alpha virt. eigenvalues --    1.15071   1.16661   1.16983   1.17870   1.18503
 Alpha virt. eigenvalues --    1.20210   1.20499   1.22805   1.25207   1.25598
 Alpha virt. eigenvalues --    1.26134   1.28049   1.28198   1.28468   1.30359
 Alpha virt. eigenvalues --    1.30763   1.32779   1.32866   1.33725   1.34709
 Alpha virt. eigenvalues --    1.35414   1.36439   1.36670   1.37859   1.39471
 Alpha virt. eigenvalues --    1.42181   1.42684   1.43087   1.44563   1.45185
 Alpha virt. eigenvalues --    1.45771   1.46389   1.46485   1.47659   1.48006
 Alpha virt. eigenvalues --    1.48225   1.49015   1.49670   1.50194   1.50391
 Alpha virt. eigenvalues --    1.51114   1.52787   1.53844   1.54152   1.55099
 Alpha virt. eigenvalues --    1.56406   1.56706   1.58245   1.58883   1.60109
 Alpha virt. eigenvalues --    1.61019   1.61737   1.62123   1.62483   1.62852
 Alpha virt. eigenvalues --    1.63301   1.64823   1.65690   1.66666   1.66678
 Alpha virt. eigenvalues --    1.66991   1.67915   1.68476   1.70398   1.70561
 Alpha virt. eigenvalues --    1.70587   1.71095   1.72085   1.75006   1.75499
 Alpha virt. eigenvalues --    1.76110   1.76245   1.77648   1.77930   1.79138
 Alpha virt. eigenvalues --    1.80973   1.81745   1.81946   1.82819   1.84372
 Alpha virt. eigenvalues --    1.85796   1.86737   1.86805   1.87570   1.88200
 Alpha virt. eigenvalues --    1.88580   1.89337   1.90457   1.91091   1.91725
 Alpha virt. eigenvalues --    1.92288   1.93967   1.95249   1.95953   1.96522
 Alpha virt. eigenvalues --    1.97163   1.98136   1.99766   2.00049   2.01056
 Alpha virt. eigenvalues --    2.03088   2.04237   2.05760   2.06949   2.07083
 Alpha virt. eigenvalues --    2.07869   2.08075   2.10894   2.12179   2.12230
 Alpha virt. eigenvalues --    2.12562   2.13642   2.15833   2.16390   2.17857
 Alpha virt. eigenvalues --    2.18399   2.20316   2.21035   2.23266   2.23371
 Alpha virt. eigenvalues --    2.23691   2.24214   2.25236   2.25426   2.26977
 Alpha virt. eigenvalues --    2.27240   2.27677   2.27969   2.28537   2.28727
 Alpha virt. eigenvalues --    2.31088   2.31135   2.31728   2.31796   2.33284
 Alpha virt. eigenvalues --    2.33309   2.34666   2.35682   2.35794   2.36134
 Alpha virt. eigenvalues --    2.36936   2.37554   2.38215   2.39698   2.40635
 Alpha virt. eigenvalues --    2.40958   2.41445   2.42273   2.42885   2.44021
 Alpha virt. eigenvalues --    2.45595   2.46356   2.49059   2.51890   2.51919
 Alpha virt. eigenvalues --    2.55436   2.56020   2.57262   2.57620   2.61303
 Alpha virt. eigenvalues --    2.63086   2.63356   2.65919   2.68929   2.70294
 Alpha virt. eigenvalues --    2.76439   2.76672   2.78166   2.78357   2.80996
 Alpha virt. eigenvalues --    2.81447   2.85510   2.89760   2.90373   2.91023
 Alpha virt. eigenvalues --    2.93887   2.96740   3.00688   3.01345   3.05317
 Alpha virt. eigenvalues --    3.06240   3.08381   3.08658   3.11747   3.14315
 Alpha virt. eigenvalues --    3.15450   3.22813   3.39882   3.41323   3.90358
 Alpha virt. eigenvalues --    5.90803   5.93803  45.86393
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.248161   0.158365   0.282917  -1.462450   0.026151  -0.001685
     2  C    0.158365   5.244519   0.750462  -1.465269   0.014721  -0.026727
     3  N    0.282917   0.750462  10.902131  -8.117417   0.477147   0.060882
     4  Rh  -1.462450  -1.465269  -8.117417  66.839803  -7.468937  -0.890634
     5  N    0.026151   0.014721   0.477147  -7.468937  10.115265   0.774348
     6  C   -0.001685  -0.026727   0.060882  -0.890634   0.774348   4.993604
     7  C   -0.007461   0.014734  -0.038483  -1.098842   0.085831   0.196683
     8  N    0.136862   0.202384   0.291917  -7.152961   0.654287  -0.070734
     9  N    0.749609   0.282099   0.452477  -8.117732   0.674581   0.034249
    10  N    0.013790   0.028046   0.671023  -7.442955   0.915155   0.134242
    11  C   -0.027014  -0.001518   0.032873  -0.887357   0.133192   0.030695
    12  C    0.015325  -0.007780   0.272093  -1.096489   0.047610  -0.051962
    13  N    0.203167   0.138258   1.149810  -7.165333   0.410582   0.029228
    14  H   -0.009375   0.001707  -0.009354   0.171640  -0.140829  -0.199673
    15  H    0.008722  -0.003849   0.001195   0.346525  -0.463688   0.002614
    16  H    0.006557  -0.004418  -0.022814   0.093376   0.002051  -0.132376
    17  H   -0.011516   0.003269   0.003869   0.484898  -0.011446   0.088092
    18  H   -0.004466   0.006622   0.004484   0.096024  -0.013566   0.002140
    19  H    0.003274  -0.011465  -0.031624   0.481576   0.013467   0.002097
    20  H    0.001674  -0.009269  -0.051003   0.167019  -0.002548   0.025229
    21  H   -0.003817   0.008619   0.041902   0.349290  -0.007410  -0.012309
    22  H    0.003022  -0.001583   0.024816   0.031915  -0.021865   0.018669
    23  H   -0.005878   0.000995  -0.031536  -0.046909   0.032166   0.002839
    24  H    0.018079  -0.002788  -0.015873  -0.108868   0.007342  -0.000490
    25  H    0.013575   0.004437   0.011667  -0.048937   0.034393   0.009217
    26  H   -0.136962   0.032252  -0.046230  -0.052007  -0.035959   0.010200
    27  H    0.032204  -0.011791   0.008556   0.086272   0.035516   0.008448
    28  H   -0.003093   0.018297  -0.041958  -0.109365   0.027185   0.014064
    29  H    0.004398   0.013527   0.004251  -0.045761  -0.048516   0.028456
    30  H   -0.001564   0.003018   0.006518   0.032318   0.246125   0.005291
    31  H    0.000683  -0.005861   0.002345  -0.043614   0.387551  -0.075315
    32  H   -0.311510  -0.079105  -0.044554   0.379143  -0.030689  -0.002804
    33  H    0.182044  -0.106697   0.040026   0.414537   0.018861   0.003396
    34  H   -0.106160   0.181365  -0.606366   0.414671   0.000582  -0.002035
    35  H   -0.080570  -0.308833  -0.213614   0.378540  -0.017270  -0.001352
    36  H   -0.011644   0.032108   0.080361   0.088297   0.000661  -0.008305
    37  H    0.032226  -0.136008   0.362402  -0.053740   0.016795   0.006042
               7          8          9         10         11         12
     1  C   -0.007461   0.136862   0.749609   0.013790  -0.027014   0.015325
     2  C    0.014734   0.202384   0.282099   0.028046  -0.001518  -0.007780
     3  N   -0.038483   0.291917   0.452477   0.671023   0.032873   0.272093
     4  Rh  -1.098842  -7.152961  -8.117732  -7.442955  -0.887357  -1.096489
     5  N    0.085831   0.654287   0.674581   0.915155   0.133192   0.047610
     6  C    0.196683  -0.070734   0.034249   0.134242   0.030695  -0.051962
     7  C    5.107408   0.742338   0.272528   0.044943  -0.051861   0.005791
     8  N    0.742338   9.971597   1.148478   0.404974   0.027574   0.000048
     9  N    0.272528   1.148478  10.903336   0.475060   0.060247  -0.038135
    10  N    0.044943   0.404974   0.475060  10.102031   0.773779   0.083040
    11  C   -0.051861   0.027574   0.060247   0.773779   4.992519   0.197064
    12  C    0.005791   0.000048  -0.038135   0.083040   0.197064   5.106480
    13  N   -0.001592   0.380197   0.291839   0.653357  -0.067830   0.738875
    14  H   -0.120235   0.025339  -0.051215  -0.003341   0.024502  -0.007625
    15  H    0.058355  -0.005483   0.042117  -0.007121  -0.012186   0.004361
    16  H   -0.178800  -0.039351   0.004321  -0.013824   0.001978  -0.000189
    17  H   -0.063104  -0.535434  -0.031878   0.013727   0.002229   0.000091
    18  H   -0.000327  -0.007286  -0.022821   0.002403  -0.131207  -0.180026
    19  H    0.000141  -0.001104   0.003922  -0.011461   0.087504  -0.061315
    20  H   -0.008090  -0.020270  -0.009430  -0.137857  -0.198508  -0.120970
    21  H    0.004488   0.009231   0.001244  -0.464641   0.001719   0.058754
    22  H    0.005293  -0.037372   0.006511   0.247374   0.004920   0.009522
    23  H    0.003740   0.005505   0.002434   0.388715  -0.075721   0.023552
    24  H    0.000635   0.010890  -0.041936   0.026726   0.013947   0.040906
    25  H   -0.004041   0.004457   0.004016  -0.047477   0.028738  -0.087848
    26  H    0.016529   0.013532   0.360070   0.016843   0.006089   0.001034
    27  H    0.000720   0.000532   0.080906   0.000774  -0.008320   0.010299
    28  H    0.040703   0.327184  -0.016500   0.007422  -0.000506   0.000707
    29  H   -0.087968   0.369258   0.011586   0.034253   0.009140  -0.004070
    30  H    0.009263  -0.002791   0.024979  -0.021413   0.018917   0.005172
    31  H    0.023543  -0.033977  -0.032824   0.031786   0.002753   0.003792
    32  H    0.000980  -0.033151  -0.213198  -0.017444  -0.001501  -0.001470
    33  H   -0.003208   0.012514  -0.606139   0.000608  -0.002001   0.005688
    34  H    0.005637   0.006933   0.039930   0.018912   0.003448  -0.003256
    35  H   -0.001217   0.001244  -0.044826  -0.030414  -0.002860   0.000948
    36  H    0.010177   0.011587   0.007958   0.035193   0.008387   0.000720
    37  H    0.001109   0.038451  -0.045741  -0.036195   0.009903   0.016929
              13         14         15         16         17         18
     1  C    0.203167  -0.009375   0.008722   0.006557  -0.011516  -0.004466
     2  C    0.138258   0.001707  -0.003849  -0.004418   0.003269   0.006622
     3  N    1.149810  -0.009354   0.001195  -0.022814   0.003869   0.004484
     4  Rh  -7.165333   0.171640   0.346525   0.093376   0.484898   0.096024
     5  N    0.410582  -0.140829  -0.463688   0.002051  -0.011446  -0.013566
     6  C    0.029228  -0.199673   0.002614  -0.132376   0.088092   0.002140
     7  C   -0.001592  -0.120235   0.058355  -0.178800  -0.063104  -0.000327
     8  N    0.380197   0.025339  -0.005483  -0.039351  -0.535434  -0.007286
     9  N    0.291839  -0.051215   0.042117   0.004321  -0.031878  -0.022821
    10  N    0.653357  -0.003341  -0.007121  -0.013824   0.013727   0.002403
    11  C   -0.067830   0.024502  -0.012186   0.001978   0.002229  -0.131207
    12  C    0.738875  -0.007625   0.004361  -0.000189   0.000091  -0.180026
    13  N    9.978658  -0.020078   0.009164  -0.007224  -0.001185  -0.042094
    14  H   -0.020078   2.252014  -0.462709   0.169414  -0.144965  -0.000043
    15  H    0.009164  -0.462709   1.907488  -0.137685  -0.020182   0.000371
    16  H   -0.007224   0.169414  -0.137685   2.230146  -0.476602  -0.000372
    17  H   -0.001185  -0.144965  -0.020182  -0.476602   1.974631  -0.000276
    18  H   -0.042094  -0.000043   0.000371  -0.000372  -0.000276   2.229224
    19  H   -0.533935  -0.000712   0.000304  -0.000269   0.000133  -0.475880
    20  H    0.025335   0.002260  -0.000161  -0.000065  -0.000742   0.169466
    21  H   -0.005989  -0.000229  -0.001300   0.000372   0.000312  -0.137934
    22  H   -0.002218   0.010847  -0.000031  -0.001765  -0.002615  -0.006439
    23  H   -0.033950  -0.003579   0.000685  -0.003428   0.003935  -0.010736
    24  H    0.325913  -0.000442  -0.000179  -0.000901   0.000240  -0.073051
    25  H    0.371039  -0.003017   0.001695  -0.000009  -0.000422   0.031906
    26  H    0.038591  -0.002456   0.001138   0.001839   0.001829  -0.000039
    27  H    0.011803  -0.004150   0.003526  -0.001284   0.002028  -0.001006
    28  H    0.010862  -0.004642   0.006908  -0.072960   0.001598  -0.000900
    29  H    0.004407  -0.019097   0.006662   0.031755  -0.013748   0.000004
    30  H   -0.037554  -0.075307   0.022471  -0.006396   0.008613  -0.001763
    31  H    0.005081   0.047271  -0.031308  -0.010852   0.004653  -0.003433
    32  H    0.000742  -0.000623   0.000232   0.000258  -0.000801  -0.000101
    33  H    0.006936  -0.000341   0.000578  -0.004689   0.000028  -0.001502
    34  H    0.012299  -0.000343   0.000097  -0.001512  -0.000194  -0.004678
    35  H   -0.033119   0.000008  -0.000304  -0.000095   0.005949   0.000264
    36  H    0.000616   0.000407  -0.000333  -0.001003  -0.000007  -0.001340
    37  H    0.013543   0.000452  -0.000423  -0.000038  -0.000172   0.001768
              19         20         21         22         23         24
     1  C    0.003274   0.001674  -0.003817   0.003022  -0.005878   0.018079
     2  C   -0.011465  -0.009269   0.008619  -0.001583   0.000995  -0.002788
     3  N   -0.031624  -0.051003   0.041902   0.024816  -0.031536  -0.015873
     4  Rh   0.481576   0.167019   0.349290   0.031915  -0.046909  -0.108868
     5  N    0.013467  -0.002548  -0.007410  -0.021865   0.032166   0.007342
     6  C    0.002097   0.025229  -0.012309   0.018669   0.002839  -0.000490
     7  C    0.000141  -0.008090   0.004488   0.005293   0.003740   0.000635
     8  N   -0.001104  -0.020270   0.009231  -0.037372   0.005505   0.010890
     9  N    0.003922  -0.009430   0.001244   0.006511   0.002434  -0.041936
    10  N   -0.011461  -0.137857  -0.464641   0.247374   0.388715   0.026726
    11  C    0.087504  -0.198508   0.001719   0.004920  -0.075721   0.013947
    12  C   -0.061315  -0.120970   0.058754   0.009522   0.023552   0.040906
    13  N   -0.533935   0.025335  -0.005989  -0.002218  -0.033950   0.325913
    14  H   -0.000712   0.002260  -0.000229   0.010847  -0.003579  -0.000442
    15  H    0.000304  -0.000161  -0.001300  -0.000031   0.000685  -0.000179
    16  H   -0.000269  -0.000065   0.000372  -0.001765  -0.003428  -0.000901
    17  H    0.000133  -0.000742   0.000312  -0.002615   0.003935   0.000240
    18  H   -0.475880   0.169466  -0.137934  -0.006439  -0.010736  -0.073051
    19  H    1.974336  -0.145249  -0.019767   0.008607   0.004659   0.001631
    20  H   -0.145249   2.252526  -0.463617  -0.075378   0.047271  -0.004643
    21  H   -0.019767  -0.463617   1.908410   0.022401  -0.031212   0.006916
    22  H    0.008607  -0.075378   0.022401   0.869888  -0.141131  -0.000396
    23  H    0.004659   0.047271  -0.031212  -0.141131   0.742022   0.003160
    24  H    0.001631  -0.004643   0.006916  -0.000396   0.003160   0.868212
    25  H   -0.014157  -0.019061   0.006613   0.001333  -0.003901  -0.123184
    26  H   -0.000174   0.000460  -0.000422   0.000068   0.000433   0.002554
    27  H    0.000005   0.000394  -0.000332   0.000110   0.000517   0.000076
    28  H    0.000236  -0.000471  -0.000167  -0.001129   0.000230   0.000472
    29  H   -0.000416  -0.002986   0.001678   0.002473  -0.001539   0.000730
    30  H   -0.002623   0.011255  -0.000081   0.004904  -0.000629  -0.001156
    31  H    0.003958  -0.003662   0.000718  -0.000647   0.003430   0.000227
    32  H    0.005960   0.000003  -0.000314  -0.000685  -0.000974   0.010257
    33  H   -0.000194  -0.000344   0.000101   0.000282  -0.000540  -0.002534
    34  H    0.000031  -0.000340   0.000577   0.000202   0.003110   0.002992
    35  H   -0.000793  -0.000614   0.000220  -0.000652  -0.001591  -0.006228
    36  H    0.002007  -0.004153   0.003528  -0.001917   0.006193  -0.001444
    37  H    0.001795  -0.002474   0.001168   0.000857  -0.000538   0.004272
              25         26         27         28         29         30
     1  C    0.013575  -0.136962   0.032204  -0.003093   0.004398  -0.001564
     2  C    0.004437   0.032252  -0.011791   0.018297   0.013527   0.003018
     3  N    0.011667  -0.046230   0.008556  -0.041958   0.004251   0.006518
     4  Rh  -0.048937  -0.052007   0.086272  -0.109365  -0.045761   0.032318
     5  N    0.034393  -0.035959   0.035516   0.027185  -0.048516   0.246125
     6  C    0.009217   0.010200   0.008448   0.014064   0.028456   0.005291
     7  C   -0.004041   0.016529   0.000720   0.040703  -0.087968   0.009263
     8  N    0.004457   0.013532   0.000532   0.327184   0.369258  -0.002791
     9  N    0.004016   0.360070   0.080906  -0.016500   0.011586   0.024979
    10  N   -0.047477   0.016843   0.000774   0.007422   0.034253  -0.021413
    11  C    0.028738   0.006089  -0.008320  -0.000506   0.009140   0.018917
    12  C   -0.087848   0.001034   0.010299   0.000707  -0.004070   0.005172
    13  N    0.371039   0.038591   0.011803   0.010862   0.004407  -0.037554
    14  H   -0.003017  -0.002456  -0.004150  -0.004642  -0.019097  -0.075307
    15  H    0.001695   0.001138   0.003526   0.006908   0.006662   0.022471
    16  H   -0.000009   0.001839  -0.001284  -0.072960   0.031755  -0.006396
    17  H   -0.000422   0.001829   0.002028   0.001598  -0.013748   0.008613
    18  H    0.031906  -0.000039  -0.001006  -0.000900   0.000004  -0.001763
    19  H   -0.014157  -0.000174   0.000005   0.000236  -0.000416  -0.002623
    20  H   -0.019061   0.000460   0.000394  -0.000471  -0.002986   0.011255
    21  H    0.006613  -0.000422  -0.000332  -0.000167   0.001678  -0.000081
    22  H    0.001333   0.000068   0.000110  -0.001129   0.002473   0.004904
    23  H   -0.003901   0.000433   0.000517   0.000230  -0.001539  -0.000629
    24  H   -0.123184   0.002554   0.000076   0.000472   0.000730  -0.001156
    25  H    0.718616  -0.001045   0.001748   0.000732   0.000856   0.002482
    26  H   -0.001045   0.763205  -0.123739   0.004285  -0.000772   0.000851
    27  H    0.001748  -0.123739   0.844540  -0.001432   0.001324  -0.001939
    28  H    0.000732   0.004285  -0.001432   0.867747  -0.123399  -0.000391
    29  H    0.000856  -0.000772   0.001324  -0.123399   0.719480   0.001314
    30  H    0.002482   0.000851  -0.001939  -0.000391   0.001314   0.870561
    31  H   -0.001541  -0.000511   0.006223   0.003112  -0.003894  -0.140877
    32  H   -0.006860   0.056636  -0.083713  -0.006265  -0.001936  -0.000656
    33  H    0.003885  -0.033345   0.040321   0.002989   0.001248   0.000193
    34  H    0.001254   0.008026   0.003327  -0.002491   0.003876   0.000281
    35  H   -0.001950  -0.001136  -0.007168   0.010038  -0.006771  -0.000683
    36  H    0.001335   0.000312   0.000090   0.000048   0.001767   0.000106
    37  H   -0.000744  -0.001199   0.000327   0.002533  -0.001070   0.000061
              31         32         33         34         35         36
     1  C    0.000683  -0.311510   0.182044  -0.106160  -0.080570  -0.011644
     2  C   -0.005861  -0.079105  -0.106697   0.181365  -0.308833   0.032108
     3  N    0.002345  -0.044554   0.040026  -0.606366  -0.213614   0.080361
     4  Rh  -0.043614   0.379143   0.414537   0.414671   0.378540   0.088297
     5  N    0.387551  -0.030689   0.018861   0.000582  -0.017270   0.000661
     6  C   -0.075315  -0.002804   0.003396  -0.002035  -0.001352  -0.008305
     7  C    0.023543   0.000980  -0.003208   0.005637  -0.001217   0.010177
     8  N   -0.033977  -0.033151   0.012514   0.006933   0.001244   0.011587
     9  N   -0.032824  -0.213198  -0.606139   0.039930  -0.044826   0.007958
    10  N    0.031786  -0.017444   0.000608   0.018912  -0.030414   0.035193
    11  C    0.002753  -0.001501  -0.002001   0.003448  -0.002860   0.008387
    12  C    0.003792  -0.001470   0.005688  -0.003256   0.000948   0.000720
    13  N    0.005081   0.000742   0.006936   0.012299  -0.033119   0.000616
    14  H    0.047271  -0.000623  -0.000341  -0.000343   0.000008   0.000407
    15  H   -0.031308   0.000232   0.000578   0.000097  -0.000304  -0.000333
    16  H   -0.010852   0.000258  -0.004689  -0.001512  -0.000095  -0.001003
    17  H    0.004653  -0.000801   0.000028  -0.000194   0.005949  -0.000007
    18  H   -0.003433  -0.000101  -0.001502  -0.004678   0.000264  -0.001340
    19  H    0.003958   0.005960  -0.000194   0.000031  -0.000793   0.002007
    20  H   -0.003662   0.000003  -0.000344  -0.000340  -0.000614  -0.004153
    21  H    0.000718  -0.000314   0.000101   0.000577   0.000220   0.003528
    22  H   -0.000647  -0.000685   0.000282   0.000202  -0.000652  -0.001917
    23  H    0.003430  -0.000974  -0.000540   0.003110  -0.001591   0.006193
    24  H    0.000227   0.010257  -0.002534   0.002992  -0.006228  -0.001444
    25  H   -0.001541  -0.006860   0.003885   0.001254  -0.001950   0.001335
    26  H   -0.000511   0.056636  -0.033345   0.008026  -0.001136   0.000312
    27  H    0.006223  -0.083713   0.040321   0.003327  -0.007168   0.000090
    28  H    0.003112  -0.006265   0.002989  -0.002491   0.010038   0.000048
    29  H   -0.003894  -0.001936   0.001248   0.003876  -0.006771   0.001767
    30  H   -0.140877  -0.000656   0.000193   0.000281  -0.000683   0.000106
    31  H    0.741799  -0.001612   0.003113  -0.000535  -0.000974   0.000508
    32  H   -0.001612   2.280522  -0.497920  -0.156536   0.181082  -0.007135
    33  H    0.003113  -0.497920   1.986679  -0.036458  -0.156572   0.003331
    34  H   -0.000535  -0.156536  -0.036458   1.986041  -0.497116   0.040481
    35  H   -0.000974   0.181082  -0.156572  -0.497116   2.279041  -0.083965
    36  H    0.000508  -0.007135   0.003331   0.040481  -0.083965   0.843855
    37  H    0.000434  -0.001259   0.007973  -0.033468   0.056481  -0.123716
              37
     1  C    0.032226
     2  C   -0.136008
     3  N    0.362402
     4  Rh  -0.053740
     5  N    0.016795
     6  C    0.006042
     7  C    0.001109
     8  N    0.038451
     9  N   -0.045741
    10  N   -0.036195
    11  C    0.009903
    12  C    0.016929
    13  N    0.013543
    14  H    0.000452
    15  H   -0.000423
    16  H   -0.000038
    17  H   -0.000172
    18  H    0.001768
    19  H    0.001795
    20  H   -0.002474
    21  H    0.001168
    22  H    0.000857
    23  H   -0.000538
    24  H    0.004272
    25  H   -0.000744
    26  H   -0.001199
    27  H    0.000327
    28  H    0.002533
    29  H   -0.001070
    30  H    0.000061
    31  H    0.000434
    32  H   -0.001259
    33  H    0.007973
    34  H   -0.033468
    35  H    0.056481
    36  H   -0.123716
    37  H    0.761662
 Mulliken charges:
               1
     1  C    1.044358
     2  C    1.043156
     3  N    0.334699
     4  Rh  -0.980267
     5  N    0.111162
     6  C    0.995674
     7  C    1.013659
     8  N    0.142602
     9  N    0.337878
    10  N    0.109965
    11  C    0.996271
    12  C    1.012334
    13  N    0.141802
    14  H   -0.421480
    15  H   -0.278266
    16  H   -0.423145
    17  H   -0.284836
    18  H   -0.423387
    19  H   -0.284505
    20  H   -0.420986
    21  H   -0.278719
    22  H    0.021812
    23  H    0.118202
    24  H    0.037936
    25  H    0.110200
    26  H    0.099221
    27  H    0.064288
    28  H    0.038315
    29  H    0.109501
    30  H    0.021130
    31  H    0.118456
    32  H   -0.413001
    33  H   -0.282846
    34  H   -0.282584
    35  H   -0.413128
    36  H    0.064927
    37  H    0.099604
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.348511
     2  C    0.347445
     3  N    0.499230
     4  Rh  -0.980267
     5  N    0.250747
     6  C    0.295927
     7  C    0.305678
     8  N    0.290417
     9  N    0.501387
    10  N    0.249980
    11  C    0.296565
    12  C    0.304441
    13  N    0.289937
 Electronic spatial extent (au):  <R**2>=           2779.6680
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0227    Y=             -0.0002    Z=              0.0002  Tot=              0.0227
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.1158   YY=            -30.5900   ZZ=            -52.9903
   XY=             -0.0011   XZ=             -0.0047   YZ=             -0.1417
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.7829   YY=              7.3087   ZZ=            -15.0916
   XY=             -0.0011   XZ=             -0.0047   YZ=             -0.1417
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -36.0888  YYY=              0.2066  ZZZ=              0.0435  XYY=             36.8590
  XXY=             -0.2054  XXZ=              0.0091  XZZ=             -0.5247  YZZ=             -0.0078
  YYZ=              0.0204  XYZ=             -0.7940
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -999.7121 YYYY=           -965.8343 ZZZZ=           -350.3782 XXXY=              0.0513
 XXXZ=              0.1762 YYYX=             -0.0421 YYYZ=             37.3105 ZZZX=             -0.0097
 ZZZY=             -4.6697 XXYY=           -329.9754 XXZZ=           -228.1839 YYZZ=           -229.7808
 XXYZ=            -35.5462 YYXZ=             -0.2308 ZZXY=             -0.0063
 N-N= 1.198282294253D+03 E-N=-3.904513226257D+03  KE= 6.072249020218D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 04:20:46 2021, MaxMem= 10737418240 cpu:              13.9 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 8.90860634D-03-8.00422508D-05 1.00325385D-04
 Polarizability= 1.50517013D+02-7.52488376D-04 1.49049515D+02
                -1.56818627D-03 5.98748852D-02 1.18804058D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0011    0.0010       -0.0001   -0.0001
 2     -0.0011   -0.0010       -0.0430   -0.0409       -0.7229   -0.7292
 3      0.0001    0.0001       16.1160   16.1205        0.0390    0.0409
 4      0.0430    0.0409       -0.0000    0.0000       -0.0001    0.0001
 5    -15.3931  -15.3913        0.0001   -0.0001        0.0011    0.0010
 6     -0.0390   -0.0409       -0.0011   -0.0010       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0029   -0.0029       -0.0002   -0.0002
 2      0.1227    0.1227        0.0000    0.0000       -0.0002   -0.0002
 3      0.1227    0.1227       -0.0029   -0.0029        0.0000    0.0000
 4     -0.0029   -0.0029       -0.1227   -0.1227       -2.1876   -2.1876
 5      0.0002    0.0002       48.3614   48.3614        0.1227    0.1227
 6    -46.1738  -46.1738       -0.0002   -0.0002        0.0029    0.0029
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3483    0.0000       -0.0254   -0.0039       -0.0319    0.0003
 2      0.0549    0.0039        0.3457    0.1636        3.0972    2.9168
 3     -0.0133   -0.0003      -64.3568  -64.4818       -0.5694   -0.1636
 4      0.0650   -0.1636       -0.0733    0.0000       -0.0802   -0.0003
 5     61.6030   61.5651        0.0557    0.0003        0.1038   -0.0039
 6      0.4431    0.1636       -0.0089    0.0039       -0.0277    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.5153    0.0000       -0.1034   -0.0157        0.0350    0.0678
 2      0.0620    0.0157       -4.5647   -3.8340       -7.9543   -8.0811
 3     -0.1473   -0.0678      -13.9973  -14.7746        3.4574    3.8340
 4      4.9961    3.8340        0.1447    0.0000        0.1934   -0.0678
 5     21.4440   22.8557        0.2240    0.0678        0.1800   -0.0157
 6     -3.9106   -3.8340       -0.0496    0.0157       -0.2369    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     97.4593   98.0708        0.4807    0.4696       -0.0218    0.0088
 2    103.7103  104.0444        0.6061    0.4730        0.2766    0.0088
 3    103.7709  104.0444        0.5939    0.4696        0.1971    0.0063
 4      0.0281   -0.0034       -6.7966   -5.9735        3.0762    3.1207
 5     -0.0668   -0.0025      -37.5024  -37.9794        6.3350    5.9735
 6     33.7157   34.8587        0.0818    0.0025        0.1155    0.0034
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.7638  -13.0428   -5.2346   -0.0003    0.0004    0.0005
 Low frequencies ---   87.2320   90.4818  111.3947
 Diagonal vibrational polarizability:
       15.2900420      13.7720291      12.4000970
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     87.2132                90.4421               111.3698
 Red. masses --      3.0313                 2.9985                 2.8527
 Frc consts  --      0.0136                 0.0145                 0.0208
 IR Inten    --      0.0214                 0.0119                 0.1948
 RamAct Fr= 1--      0.9853                 1.0409                 0.0535
  Dep-P Fr= 1--      0.7495                 0.7499                 0.7479
  Dep-U Fr= 1--      0.8568                 0.8571                 0.8558
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1407                 0.1487                 0.0076
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0059                -0.3576                 0.0401
 Delta2 Fr= 1--     -0.0803                -0.0617                -0.0044
 Raman1 Fr= 1--       3.941                  4.164                  0.214
 ROA1   Fr= 1--      -3.138                -36.304                  3.705
 CID1   Fr= 1--      -0.796                 -8.719                 17.312
 Raman2 Fr= 1--       1.688                  1.784                  0.092
 ROA2   Fr= 1--       0.501                 -8.089                  0.997
 CID2   Fr= 1--       0.297                 -4.534                 10.890
 Raman3 Fr= 1--       3.377                  3.569                  0.183
 ROA3   Fr= 1--      -3.138                -36.304                  3.705
 CID3   Fr= 1--      -0.929                -10.173                 20.229
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00    -0.04   0.20   0.08     0.06  -0.01  -0.09
     2   6    -0.04   0.03   0.00     0.04   0.20   0.08    -0.06  -0.01  -0.09
     3   7    -0.05   0.03   0.02    -0.03  -0.00  -0.04    -0.06   0.06   0.03
     4  45    -0.04  -0.00   0.00     0.00  -0.04  -0.01     0.00  -0.01   0.06
     5   7    -0.02  -0.05  -0.01     0.01  -0.02   0.03     0.02  -0.08   0.03
     6   6     0.11  -0.16   0.06    -0.08   0.04   0.00    -0.05   0.04  -0.10
     7   6     0.16  -0.05   0.05    -0.13  -0.01  -0.03    -0.07   0.00  -0.11
     8   7    -0.01   0.01  -0.03    -0.06  -0.04  -0.01     0.06   0.01   0.02
     9   7    -0.04  -0.03  -0.02     0.04  -0.00  -0.03     0.06   0.06   0.03
    10   7    -0.02   0.05   0.01    -0.01  -0.02   0.03    -0.02  -0.08   0.02
    11   6     0.11   0.16  -0.06     0.07   0.03   0.01     0.04   0.03  -0.10
    12   6     0.17   0.05  -0.05     0.11  -0.02  -0.03     0.07   0.00  -0.11
    13   7    -0.01  -0.02   0.03     0.06  -0.04  -0.01    -0.06   0.01   0.02
    14   1     0.04  -0.28   0.06    -0.07   0.10   0.03     0.01   0.16  -0.10
    15   1     0.21  -0.19   0.11    -0.11   0.05  -0.01    -0.13   0.01  -0.19
    16   1     0.24   0.07   0.03    -0.14  -0.07  -0.05    -0.14  -0.12  -0.12
    17   1     0.23  -0.11   0.09    -0.18   0.02  -0.05    -0.11   0.09  -0.21
    18   1     0.26  -0.07  -0.04     0.13  -0.07  -0.05     0.14  -0.12  -0.12
    19   1     0.24   0.12  -0.10     0.17   0.02  -0.04     0.10   0.09  -0.21
    20   1     0.05   0.28  -0.06     0.06   0.09   0.03    -0.01   0.15  -0.09
    21   1     0.22   0.19  -0.11     0.09   0.04  -0.00     0.12   0.01  -0.19
    22   1    -0.08   0.10   0.10    -0.05   0.00   0.08    -0.05  -0.08   0.13
    23   1    -0.03  -0.06  -0.04    -0.04  -0.07  -0.00    -0.04  -0.20  -0.03
    24   1    -0.00  -0.10   0.13     0.08  -0.07  -0.01    -0.08  -0.01   0.12
    25   1    -0.12   0.02  -0.03     0.05  -0.01  -0.02    -0.18   0.06  -0.04
    26   1    -0.04  -0.03  -0.06     0.17   0.03  -0.14     0.02   0.04   0.12
    27   1    -0.04  -0.07  -0.02    -0.01  -0.13  -0.03     0.11   0.15   0.03
    28   1    -0.01   0.09  -0.13    -0.08  -0.08   0.00     0.08  -0.01   0.12
    29   1    -0.12  -0.02   0.03    -0.04  -0.01  -0.02     0.18   0.06  -0.04
    30   1    -0.08  -0.10  -0.09     0.06   0.01   0.09     0.05  -0.08   0.13
    31   1    -0.03   0.05   0.04     0.04  -0.07  -0.01     0.05  -0.20  -0.03
    32   1    -0.05  -0.03   0.03    -0.23   0.20   0.09     0.15  -0.01  -0.10
    33   1    -0.04  -0.02  -0.02     0.02   0.34   0.14     0.06  -0.05  -0.16
    34   1    -0.05   0.04   0.02    -0.02   0.34   0.14    -0.06  -0.05  -0.16
    35   1    -0.04   0.04  -0.02     0.23   0.20   0.09    -0.15  -0.01  -0.10
    36   1    -0.04   0.06   0.02     0.01  -0.13  -0.03    -0.11   0.15   0.03
    37   1    -0.05   0.03   0.05    -0.16   0.03  -0.15    -0.02   0.04   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    142.4225               143.9151               160.6105
 Red. masses --      2.9021                 2.9067                 2.7002
 Frc consts  --      0.0347                 0.0355                 0.0410
 IR Inten    --      0.3605                 0.6318                 0.0271
 RamAct Fr= 1--      0.1848                 0.3299                 1.7044
  Dep-P Fr= 1--      0.7500                 0.6830                 0.7401
  Dep-U Fr= 1--      0.8571                 0.8116                 0.8506
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0003
 Beta2  Fr= 1--      0.0264                 0.0446                 0.2416
 AlphaG Fr= 1--     -0.0000                -0.0003                -0.0063
 Gamma2 Fr= 1--      0.9648                 1.2118                -2.5412
 Delta2 Fr= 1--      0.1747                 0.2292                -0.7185
 Raman1 Fr= 1--       0.739                  1.320                  6.817
 ROA1   Fr= 1--      98.212                123.669               -266.951
 CID1   Fr= 1--     132.889                 93.714                -39.157
 Raman2 Fr= 1--       0.317                  0.536                  2.900
 ROA2   Fr= 1--      21.758                 27.250                -55.242
 CID2   Fr= 1--      68.696                 50.885                -19.052
 Raman3 Fr= 1--       0.633                  1.071                  5.799
 ROA3   Fr= 1--      98.212                123.669               -266.951
 CID3   Fr= 1--     155.038                115.464                -46.034
 RC180  Fr= 1--       0.714                  0.623                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.08     0.03  -0.11  -0.02    -0.03   0.09   0.01
     2   6    -0.02   0.04  -0.09     0.03   0.11   0.01    -0.03  -0.09  -0.01
     3   7    -0.05   0.01  -0.04     0.02   0.13   0.09    -0.00  -0.09  -0.07
     4  45    -0.00  -0.02  -0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   7    -0.10   0.06  -0.06     0.06   0.03   0.07     0.09  -0.04   0.08
     6   6    -0.06   0.04  -0.05    -0.01   0.03   0.12     0.04  -0.02   0.08
     7   6     0.01  -0.02   0.13    -0.06   0.02   0.03    -0.03   0.02  -0.08
     8   7     0.07  -0.09   0.09    -0.08   0.01  -0.01    -0.08   0.05  -0.07
     9   7     0.05   0.03  -0.03     0.02  -0.13  -0.09    -0.00   0.09   0.07
    10   7     0.09   0.06  -0.05     0.07  -0.02  -0.07     0.09   0.04  -0.08
    11   6     0.06   0.04  -0.04    -0.00  -0.02  -0.13     0.04   0.02  -0.08
    12   6    -0.01  -0.02   0.13    -0.06  -0.02  -0.02    -0.03  -0.02   0.08
    13   7    -0.06  -0.09   0.09    -0.09  -0.02   0.02    -0.08  -0.05   0.07
    14   1     0.05   0.02  -0.17    -0.07   0.02   0.18    -0.05   0.00   0.18
    15   1    -0.16   0.10  -0.08     0.05   0.03   0.17     0.13  -0.06   0.11
    16   1    -0.05   0.06   0.24    -0.02  -0.01  -0.02     0.03  -0.05  -0.18
    17   1     0.09  -0.09   0.18    -0.12   0.03   0.05    -0.11   0.07  -0.11
    18   1     0.06   0.06   0.24    -0.02   0.01   0.04     0.03   0.05   0.18
    19   1    -0.07  -0.09   0.18    -0.13  -0.04  -0.03    -0.11  -0.07   0.10
    20   1    -0.04   0.03  -0.15    -0.07  -0.02  -0.20    -0.05  -0.00  -0.19
    21   1     0.15   0.10  -0.06     0.06  -0.02  -0.18     0.13   0.06  -0.11
    22   1     0.10   0.11  -0.16     0.09  -0.04  -0.11     0.11   0.07  -0.17
    23   1     0.18   0.10  -0.00     0.12  -0.03  -0.05     0.18   0.07  -0.03
    24   1    -0.08  -0.11   0.19    -0.13   0.01   0.10    -0.11  -0.05   0.17
    25   1    -0.12  -0.17   0.05    -0.15  -0.05  -0.02    -0.14  -0.11   0.03
    26   1     0.07   0.03  -0.01    -0.00  -0.12  -0.23     0.03   0.08   0.14
    27   1     0.08   0.04  -0.03     0.05  -0.27  -0.08    -0.01   0.16   0.06
    28   1     0.10  -0.11   0.20    -0.12  -0.02  -0.08    -0.11   0.05  -0.17
    29   1     0.14  -0.17   0.04    -0.14   0.03   0.03    -0.15   0.11  -0.03
    30   1    -0.11   0.10  -0.17     0.08   0.05   0.10     0.10  -0.07   0.17
    31   1    -0.19   0.09  -0.01     0.10   0.04   0.05     0.18  -0.07   0.03
    32   1     0.01   0.06  -0.10     0.06  -0.18   0.12    -0.07   0.16  -0.11
    33   1     0.05   0.08  -0.10     0.02  -0.18  -0.11    -0.01   0.17   0.09
    34   1    -0.05   0.06  -0.11     0.02   0.18   0.10    -0.01  -0.17  -0.09
    35   1    -0.02   0.04  -0.09     0.05   0.19  -0.13    -0.07  -0.16   0.11
    36   1    -0.09   0.01  -0.03     0.04   0.27   0.07    -0.01  -0.16  -0.06
    37   1    -0.07   0.01  -0.04    -0.01   0.12   0.23     0.03  -0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.1110               214.6581               218.6226
 Red. masses --      2.7389                 2.7547                 2.9959
 Frc consts  --      0.0740                 0.0748                 0.0844
 IR Inten    --      6.3106                 6.0446                13.5935
 RamAct Fr= 1--      2.7289                 2.4062                 0.0333
  Dep-P Fr= 1--      0.7452                 0.7500                 0.7461
  Dep-U Fr= 1--      0.8540                 0.8571                 0.8546
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3884                 0.3437                 0.0047
 AlphaG Fr= 1--     -0.0017                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.1214                -1.0115                -0.0763
 Delta2 Fr= 1--     -0.0593                 0.0270                -0.0174
 Raman1 Fr= 1--      10.915                  9.625                  0.133
 ROA1   Fr= 1--    -109.557                -96.243                 -7.878
 CID1   Fr= 1--     -10.037                -10.000                -59.057
 Raman2 Fr= 1--       4.661                  4.125                  0.057
 ROA2   Fr= 1--     -26.440                -24.493                 -1.692
 CID2   Fr= 1--      -5.673                 -5.938                -29.677
 Raman3 Fr= 1--       9.322                  8.250                  0.114
 ROA3   Fr= 1--    -109.557                -96.243                 -7.878
 CID3   Fr= 1--     -11.753                -11.666                -69.107
 RC180  Fr= 1--       0.708                  0.714                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.00     0.05   0.02  -0.02     0.00   0.03  -0.04
     2   6    -0.08   0.03   0.00    -0.05   0.02  -0.02    -0.00   0.03  -0.04
     3   7    -0.07   0.03  -0.01    -0.02   0.14   0.10    -0.07  -0.09  -0.04
     4  45    -0.01   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.07
     5   7     0.10  -0.11   0.07    -0.07  -0.02  -0.05    -0.13  -0.01  -0.03
     6   6     0.01  -0.02  -0.01    -0.05  -0.08   0.03    -0.01  -0.07  -0.04
     7   6    -0.03  -0.08  -0.02    -0.05  -0.05   0.00     0.05   0.03  -0.04
     8   7     0.09  -0.08   0.08    -0.11  -0.02  -0.03    -0.06   0.10  -0.03
     9   7    -0.07  -0.04   0.00     0.01   0.14   0.10     0.07  -0.09  -0.04
    10   7     0.09   0.11  -0.06     0.07  -0.01  -0.05     0.13  -0.01  -0.03
    11   6     0.01   0.03   0.00     0.05  -0.08   0.03     0.01  -0.06  -0.04
    12   6    -0.03   0.08   0.02     0.05  -0.04   0.00    -0.05   0.03  -0.04
    13   7     0.08   0.08  -0.08     0.12  -0.02  -0.03     0.06   0.10  -0.03
    14   1     0.06   0.09   0.00    -0.11  -0.16   0.06    -0.04  -0.13  -0.05
    15   1    -0.06  -0.02  -0.06     0.03  -0.08   0.10     0.04  -0.11  -0.05
    16   1    -0.09  -0.20  -0.03    -0.00  -0.02  -0.02     0.09   0.10  -0.04
    17   1    -0.07   0.01  -0.10    -0.04  -0.06   0.02     0.12   0.00  -0.04
    18   1    -0.09   0.20   0.03    -0.00  -0.00  -0.02    -0.09   0.10  -0.04
    19   1    -0.07  -0.00   0.10     0.03  -0.06   0.02    -0.12   0.00  -0.04
    20   1     0.05  -0.07  -0.01     0.11  -0.16   0.06     0.04  -0.13  -0.05
    21   1    -0.05   0.03   0.05    -0.03  -0.08   0.10    -0.04  -0.11  -0.05
    22   1     0.12   0.15  -0.23     0.09   0.01  -0.13     0.17  -0.01  -0.16
    23   1     0.20   0.21   0.02     0.11   0.07  -0.01     0.23   0.05   0.03
    24   1     0.13   0.08  -0.22     0.15  -0.01  -0.13     0.09   0.15  -0.17
    25   1     0.22   0.10   0.00     0.21   0.01   0.02     0.17   0.17   0.04
    26   1    -0.08  -0.04  -0.01    -0.02   0.11   0.29     0.11  -0.06  -0.18
    27   1    -0.07  -0.04   0.00     0.01   0.32   0.08     0.12  -0.22  -0.02
    28   1     0.14  -0.08   0.23    -0.14  -0.02  -0.12    -0.09   0.15  -0.16
    29   1     0.23  -0.10  -0.00    -0.19   0.01   0.02    -0.17   0.16   0.04
    30   1     0.13  -0.15   0.24    -0.08  -0.00  -0.12    -0.17  -0.01  -0.16
    31   1     0.21  -0.22  -0.02    -0.10   0.05  -0.01    -0.23   0.05   0.03
    32   1    -0.07  -0.06   0.04     0.19   0.02  -0.02    -0.09   0.03  -0.03
    33   1    -0.08  -0.05  -0.04     0.02  -0.06  -0.08     0.06   0.11  -0.04
    34   1    -0.07   0.05   0.04    -0.03  -0.05  -0.08    -0.06   0.11  -0.04
    35   1    -0.05   0.06  -0.04    -0.19   0.02  -0.02     0.09   0.03  -0.03
    36   1    -0.06   0.02  -0.01    -0.02   0.32   0.08    -0.12  -0.22  -0.02
    37   1    -0.08   0.03  -0.01     0.01   0.11   0.29    -0.11  -0.06  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.0949               293.8793               305.0080
 Red. masses --      4.5464                 2.0369                 1.9489
 Frc consts  --      0.1649                 0.1036                 0.1068
 IR Inten    --      0.0102                 1.9235                 1.2407
 RamAct Fr= 1--     15.5903                 1.5399                 0.5088
  Dep-P Fr= 1--      0.0865                 0.5991                 0.6867
  Dep-U Fr= 1--      0.1593                 0.7493                 0.8143
 Alpha2 Fr= 1--      0.2821                 0.0043                 0.0006
 Beta2  Fr= 1--      0.4139                 0.1923                 0.0691
 AlphaG Fr= 1--      0.1671                -0.0169                 0.0017
 Gamma2 Fr= 1--      5.4835                -0.4689                -0.4450
 Delta2 Fr= 1--      0.3718                -0.2038                 0.0159
 Raman1 Fr= 1--      62.361                  6.160                  2.035
 ROA1   Fr= 1--     538.315                -51.538                -42.213
 CID1   Fr= 1--       8.632                 -8.367                -20.741
 Raman2 Fr= 1--       4.966                  2.308                  0.829
 ROA2   Fr= 1--     128.630                 -9.624                -10.808
 CID2   Fr= 1--      25.901                 -4.170                -13.043
 Raman3 Fr= 1--       9.933                  4.615                  1.657
 ROA3   Fr= 1--     538.315                -51.538                -42.213
 CID3   Fr= 1--      54.197                -11.167                -25.472
 RC180  Fr= 1--      -0.681                  0.499                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17   0.00  -0.00    -0.09   0.11   0.01    -0.01   0.00  -0.01
     2   6     0.17  -0.00   0.00    -0.09  -0.11  -0.01     0.03  -0.00  -0.01
     3   7     0.13  -0.05   0.02     0.02   0.08   0.03     0.03  -0.01  -0.03
     4  45     0.00   0.00  -0.00     0.04   0.00   0.00    -0.00   0.04   0.00
     5   7    -0.05  -0.11  -0.05     0.00  -0.01  -0.04    -0.03   0.01  -0.03
     6   6    -0.08  -0.17   0.02    -0.02  -0.02  -0.01    -0.01  -0.07   0.06
     7   6    -0.10  -0.15  -0.03    -0.02  -0.04   0.02    -0.06  -0.04  -0.05
     8   7    -0.08  -0.09   0.05    -0.03  -0.04   0.00     0.05  -0.01   0.06
     9   7     0.13   0.06  -0.02     0.02  -0.08  -0.04    -0.02  -0.01  -0.04
    10   7    -0.06   0.11   0.05     0.00   0.01   0.04     0.04   0.03  -0.04
    11   6    -0.08   0.17  -0.02    -0.02   0.02   0.01     0.01  -0.08   0.08
    12   6    -0.10   0.15   0.03    -0.02   0.04  -0.02     0.07  -0.05  -0.07
    13   7    -0.08   0.09  -0.05    -0.03   0.04  -0.00    -0.06  -0.01   0.07
    14   1    -0.14  -0.22   0.06    -0.01  -0.03  -0.03    -0.13  -0.15   0.15
    15   1    -0.01  -0.15   0.09    -0.04   0.01   0.01     0.12  -0.08   0.16
    16   1    -0.10  -0.22  -0.06    -0.02  -0.02   0.04    -0.08  -0.21  -0.12
    17   1    -0.11  -0.09  -0.10    -0.01  -0.06   0.03    -0.14   0.08  -0.16
    18   1    -0.10   0.22   0.06    -0.02   0.02  -0.04     0.10  -0.26  -0.18
    19   1    -0.11   0.08   0.10    -0.00   0.06  -0.03     0.18   0.11  -0.21
    20   1    -0.14   0.22  -0.06    -0.01   0.03   0.03     0.17  -0.19   0.19
    21   1    -0.01   0.15  -0.09    -0.04  -0.01  -0.00    -0.18  -0.10   0.21
    22   1    -0.06   0.12   0.06     0.02  -0.02   0.07     0.08   0.03  -0.16
    23   1    -0.04   0.07   0.05    -0.02  -0.00   0.03     0.09   0.16   0.03
    24   1    -0.09   0.09  -0.03    -0.06   0.06   0.06    -0.10  -0.03   0.23
    25   1    -0.07   0.04  -0.05    -0.07   0.02  -0.03    -0.23  -0.01  -0.03
    26   1     0.10   0.05   0.00     0.12  -0.04  -0.21    -0.03  -0.00  -0.09
    27   1     0.12   0.08  -0.03     0.01  -0.25  -0.02    -0.00  -0.06  -0.03
    28   1    -0.09  -0.10   0.03    -0.06  -0.06  -0.06     0.08  -0.02   0.19
    29   1    -0.07  -0.04   0.05    -0.07  -0.02   0.03     0.18  -0.02  -0.01
    30   1    -0.06  -0.12  -0.06     0.01   0.02  -0.07    -0.06   0.00  -0.10
    31   1    -0.04  -0.07  -0.05    -0.02   0.00  -0.03    -0.05   0.10   0.01
    32   1     0.21   0.00  -0.00    -0.33   0.20  -0.14    -0.04   0.01  -0.02
    33   1     0.14  -0.05   0.01     0.00   0.34   0.15    -0.02   0.01   0.02
    34   1     0.14   0.05  -0.01     0.00  -0.34  -0.15     0.03   0.01   0.01
    35   1     0.21  -0.00   0.00    -0.33  -0.20   0.14     0.05   0.00  -0.02
    36   1     0.12  -0.07   0.03     0.01   0.25   0.02     0.01  -0.06  -0.03
    37   1     0.11  -0.05   0.00     0.12   0.04   0.21     0.04  -0.01  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.3508               325.1912               332.0835
 Red. masses --      1.8025                 3.6329                 2.9190
 Frc consts  --      0.0990                 0.2263                 0.1897
 IR Inten    --      0.7339                 7.9894                 7.1555
 RamAct Fr= 1--      1.5339                 2.6109                 2.0923
  Dep-P Fr= 1--      0.0947                 0.7500                 0.7494
  Dep-U Fr= 1--      0.1731                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0272                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0442                 0.3730                 0.2988
 AlphaG Fr= 1--      0.0835                 0.0000                 0.0003
 Gamma2 Fr= 1--     -0.0319                -0.8114                -2.4374
 Delta2 Fr= 1--     -0.1322                -0.1684                -0.0331
 Raman1 Fr= 1--       6.136                 10.443                  8.369
 ROA1   Fr= 1--      -7.292                -83.282               -235.048
 CID1   Fr= 1--      -1.188                 -7.975                -28.085
 Raman2 Fr= 1--       0.531                  4.476                  3.585
 ROA2   Fr= 1--       0.292                -18.127                -58.232
 CID2   Fr= 1--       0.550                 -4.050                -16.242
 Raman3 Fr= 1--       1.062                  8.951                  7.170
 ROA3   Fr= 1--      -7.292                -83.282               -235.048
 CID3   Fr= 1--      -6.867                 -9.304                -32.780
 RC180  Fr= 1--      -0.654                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.00    -0.04  -0.01   0.00    -0.07  -0.08  -0.00
     2   6     0.04  -0.02   0.00     0.04  -0.02   0.00    -0.07   0.08   0.00
     3   7     0.03  -0.01   0.03     0.06   0.01  -0.06    -0.10  -0.02  -0.08
     4  45    -0.02  -0.00  -0.00    -0.00   0.10   0.00     0.09   0.00  -0.00
     5   7     0.03  -0.07   0.05    -0.01  -0.14  -0.00     0.01  -0.02  -0.05
     6   6    -0.02   0.05  -0.08    -0.08  -0.07  -0.07    -0.02  -0.02  -0.04
     7   6     0.05   0.02   0.09    -0.02  -0.08   0.07    -0.01  -0.05   0.03
     8   7    -0.06   0.00  -0.02    -0.08  -0.03   0.06    -0.08  -0.05  -0.03
     9   7     0.04   0.01  -0.02    -0.06   0.01  -0.06    -0.10   0.02   0.08
    10   7     0.02   0.07  -0.04     0.01  -0.14  -0.00     0.01   0.02   0.05
    11   6    -0.02  -0.03   0.06     0.08  -0.07  -0.07    -0.02   0.02   0.04
    12   6     0.03  -0.01  -0.07     0.02  -0.08   0.07    -0.01   0.05  -0.03
    13   7    -0.05   0.00   0.01     0.08  -0.03   0.06    -0.08   0.05   0.03
    14   1     0.15   0.17  -0.19     0.03  -0.01  -0.14     0.03  -0.01  -0.09
    15   1    -0.21   0.07  -0.20    -0.20  -0.04  -0.12    -0.09   0.03  -0.04
    16   1     0.06   0.21   0.19    -0.04   0.02   0.15     0.01   0.04   0.07
    17   1     0.17  -0.12   0.20     0.10  -0.14   0.08     0.03  -0.11   0.09
    18   1     0.04  -0.15  -0.15     0.04   0.02   0.15     0.01  -0.04  -0.07
    19   1     0.13   0.10  -0.15    -0.10  -0.15   0.08     0.03   0.11  -0.09
    20   1     0.11  -0.13   0.14    -0.03  -0.01  -0.14     0.03   0.01   0.08
    21   1    -0.17  -0.04   0.15     0.20  -0.04  -0.12    -0.08  -0.03   0.04
    22   1     0.05   0.11  -0.20    -0.02  -0.20   0.21     0.03  -0.01   0.08
    23   1     0.12   0.19   0.05    -0.12  -0.27  -0.11    -0.04   0.03   0.03
    24   1    -0.07  -0.02   0.10     0.09  -0.01  -0.01    -0.15   0.08   0.22
    25   1    -0.14   0.01  -0.05     0.14  -0.06   0.09    -0.24  -0.02  -0.07
    26   1     0.05   0.02  -0.04    -0.10   0.02  -0.18    -0.17  -0.01   0.25
    27   1     0.04  -0.01  -0.01    -0.04  -0.10  -0.05    -0.12   0.21   0.05
    28   1    -0.09   0.03  -0.15    -0.09  -0.01  -0.01    -0.15  -0.08  -0.22
    29   1    -0.20  -0.01   0.05    -0.14  -0.06   0.09    -0.24   0.01   0.07
    30   1     0.07  -0.11   0.24     0.02  -0.20   0.21     0.03   0.01  -0.07
    31   1     0.14  -0.22  -0.05     0.12  -0.27  -0.11    -0.04  -0.04  -0.03
    32   1     0.04   0.02  -0.02    -0.04  -0.02   0.01     0.07  -0.14   0.10
    33   1     0.04   0.02   0.02    -0.06  -0.03   0.04    -0.10  -0.20  -0.13
    34   1     0.04  -0.02  -0.03     0.06  -0.03   0.04    -0.10   0.20   0.13
    35   1     0.03  -0.03   0.02     0.04  -0.02   0.01     0.07   0.14  -0.10
    36   1     0.04   0.03   0.02     0.04  -0.10  -0.05    -0.12  -0.21  -0.05
    37   1     0.04  -0.02   0.07     0.10   0.02  -0.18    -0.17   0.01  -0.25
                     16                     17                     18
                      A                      A                      A
 Frequencies --    398.9203               403.0894               405.1945
 Red. masses --      4.0067                 4.1140                 4.8997
 Frc consts  --      0.3757                 0.3938                 0.4740
 IR Inten    --      1.0691                 0.8622                 3.4158
 RamAct Fr= 1--      0.7085                 3.0992                 3.9199
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7484
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1012                 0.4427                 0.5593
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0029
 Gamma2 Fr= 1--     -0.2747                 0.5856                -1.9674
 Delta2 Fr= 1--     -0.0853                 0.0453                -0.0710
 Raman1 Fr= 1--       2.834                 12.397                 15.679
 ROA1   Fr= 1--     -29.103                 57.667               -191.137
 CID1   Fr= 1--     -10.269                  4.652                -12.190
 Raman2 Fr= 1--       1.215                  5.313                  6.711
 ROA2   Fr= 1--      -5.911                 13.693                -46.649
 CID2   Fr= 1--      -4.867                  2.577                 -6.951
 Raman3 Fr= 1--       2.429                 10.626                 13.423
 ROA3   Fr= 1--     -29.103                 57.667               -191.137
 CID3   Fr= 1--     -11.980                  5.427                -14.240
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.02    -0.13   0.01  -0.09    -0.03   0.01  -0.00
     2   6     0.02   0.00  -0.02     0.13   0.01  -0.09    -0.02  -0.01  -0.00
     3   7     0.04   0.03  -0.02     0.21   0.11  -0.11    -0.02  -0.00   0.02
     4  45    -0.00   0.02   0.09    -0.00  -0.07   0.04     0.08  -0.00   0.00
     5   7     0.10   0.09  -0.09    -0.01  -0.01   0.02    -0.15  -0.12   0.14
     6   6     0.10   0.04  -0.04    -0.01   0.00  -0.01    -0.10  -0.07   0.03
     7   6     0.00  -0.12  -0.03     0.01   0.03   0.01    -0.00   0.11   0.02
     8   7    -0.04  -0.15  -0.09    -0.01   0.06   0.04     0.03   0.16   0.11
     9   7    -0.04   0.03  -0.02    -0.20   0.11  -0.11    -0.03   0.01  -0.03
    10   7    -0.10   0.09  -0.09     0.01  -0.02   0.02    -0.15   0.12  -0.14
    11   6    -0.09   0.04  -0.04     0.01  -0.00  -0.00    -0.10   0.07  -0.03
    12   6    -0.00  -0.12  -0.03    -0.01   0.03   0.01    -0.00  -0.11  -0.02
    13   7     0.04  -0.14  -0.08     0.01   0.07   0.05     0.03  -0.16  -0.11
    14   1     0.15   0.05  -0.08     0.00   0.02  -0.01    -0.13  -0.06   0.07
    15   1     0.01   0.16   0.01    -0.02  -0.01  -0.02    -0.03  -0.21  -0.05
    16   1     0.02  -0.17  -0.08     0.01   0.03   0.01    -0.03   0.12   0.05
    17   1    -0.14  -0.10   0.02     0.05   0.03  -0.02     0.13   0.12  -0.06
    18   1    -0.02  -0.16  -0.08    -0.01   0.04   0.01    -0.03  -0.13  -0.05
    19   1     0.14  -0.10   0.02    -0.05   0.04  -0.02     0.13  -0.12   0.06
    20   1    -0.14   0.05  -0.08     0.00   0.02  -0.01    -0.14   0.06  -0.07
    21   1    -0.01   0.15   0.01     0.02  -0.01  -0.02    -0.03   0.21   0.05
    22   1    -0.08   0.13  -0.24    -0.01   0.05  -0.07    -0.15   0.12  -0.15
    23   1     0.03   0.16  -0.00     0.10  -0.01   0.07    -0.18   0.18  -0.13
    24   1     0.10  -0.16  -0.26     0.01   0.09  -0.01     0.01  -0.12  -0.10
    25   1     0.18  -0.05   0.01     0.03   0.13   0.07     0.05  -0.22  -0.11
    26   1    -0.09   0.04  -0.15    -0.22   0.08   0.09    -0.05   0.01  -0.05
    27   1     0.03  -0.08  -0.00    -0.24   0.29  -0.13    -0.07  -0.01  -0.03
    28   1    -0.10  -0.17  -0.27    -0.01   0.09  -0.01     0.01   0.12   0.09
    29   1    -0.18  -0.06   0.01    -0.04   0.12   0.07     0.05   0.23   0.12
    30   1     0.08   0.13  -0.24     0.01   0.06  -0.08    -0.15  -0.11   0.14
    31   1    -0.03   0.16  -0.01    -0.10  -0.00   0.06    -0.19  -0.18   0.13
    32   1     0.00   0.00  -0.01    -0.17   0.05  -0.16    -0.04   0.01  -0.01
    33   1    -0.04  -0.02   0.01    -0.22  -0.00   0.10    -0.04   0.01   0.02
    34   1     0.04  -0.02   0.01     0.22   0.00   0.11    -0.02  -0.01  -0.02
    35   1     0.00   0.00  -0.01     0.17   0.05  -0.16    -0.03  -0.01  -0.00
    36   1    -0.02  -0.08  -0.00     0.24   0.29  -0.14    -0.06   0.02   0.03
    37   1     0.09   0.04  -0.15     0.22   0.08   0.08    -0.04  -0.01   0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.7618               464.1151               501.6388
 Red. masses --      3.8961                 4.1288                 4.1520
 Frc consts  --      0.4873                 0.5240                 0.6156
 IR Inten    --      6.4781                 8.0974                 0.0324
 RamAct Fr= 1--      3.8347                 3.8525                40.2680
  Dep-P Fr= 1--      0.7499                 0.7499                 0.0013
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0025
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.8922
 Beta2  Fr= 1--      0.5478                 0.5503                 0.0170
 AlphaG Fr= 1--      0.0012                -0.0000                 0.2787
 Gamma2 Fr= 1--      0.4669                 0.6587                -0.2968
 Delta2 Fr= 1--      0.1251                 0.0408                 0.0607
 Raman1 Fr= 1--      15.339                 15.410                161.072
 ROA1   Fr= 1--      48.829                 64.543                -26.550
 CID1   Fr= 1--       3.183                  4.188                 -0.165
 Raman2 Fr= 1--       6.573                  6.604                  0.204
 ROA2   Fr= 1--      10.206                 15.482                 -7.608
 CID2   Fr= 1--       1.553                  2.344                -37.242
 Raman3 Fr= 1--      13.147                 13.208                  0.409
 ROA3   Fr= 1--      48.829                 64.543                -26.550
 CID3   Fr= 1--       3.714                  4.887                -64.982
 RC180  Fr= 1--       0.714                  0.714                 -0.995
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.01    -0.02  -0.00  -0.01    -0.01  -0.02   0.01
     2   6    -0.03   0.03  -0.01     0.02  -0.00  -0.01    -0.01   0.02  -0.01
     3   7     0.09   0.14  -0.20     0.04   0.03  -0.02     0.08   0.11  -0.14
     4  45    -0.03   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.00   0.00
     5   7     0.06  -0.01  -0.09    -0.16  -0.02   0.19    -0.12  -0.03   0.15
     6   6    -0.04  -0.03  -0.01     0.00   0.01   0.03    -0.01   0.01   0.02
     7   6    -0.00   0.02   0.02     0.01   0.04  -0.03     0.00   0.02  -0.01
     8   7    -0.04   0.11   0.10     0.06  -0.12  -0.18     0.04  -0.13  -0.16
     9   7     0.10  -0.14   0.20    -0.04   0.03  -0.02     0.08  -0.11   0.14
    10   7     0.05   0.01   0.09     0.16  -0.02   0.19    -0.12   0.03  -0.15
    11   6    -0.04   0.03   0.01    -0.01   0.01   0.03    -0.01  -0.01  -0.02
    12   6    -0.00  -0.03  -0.02    -0.01   0.04  -0.03     0.00  -0.02   0.01
    13   7    -0.03  -0.11  -0.10    -0.06  -0.12  -0.18     0.04   0.13   0.16
    14   1    -0.08  -0.07   0.01    -0.01   0.04   0.05    -0.00   0.03   0.04
    15   1     0.01   0.01   0.07     0.02  -0.12  -0.08    -0.00  -0.09  -0.07
    16   1    -0.02   0.06   0.06     0.04   0.08  -0.03     0.03   0.08  -0.00
    17   1     0.10   0.03  -0.03    -0.07  -0.04   0.10    -0.05  -0.06   0.11
    18   1    -0.02  -0.06  -0.06    -0.04   0.08  -0.03     0.03  -0.08   0.00
    19   1     0.10  -0.02   0.03     0.07  -0.04   0.10    -0.05   0.06  -0.11
    20   1    -0.08   0.07  -0.01     0.00   0.04   0.05    -0.00  -0.04  -0.04
    21   1     0.01  -0.01  -0.07    -0.02  -0.11  -0.08    -0.00   0.09   0.07
    22   1     0.10  -0.00  -0.01     0.23  -0.08   0.13    -0.15   0.03  -0.06
    23   1     0.16   0.03   0.15     0.21  -0.02   0.21    -0.18   0.01  -0.18
    24   1    -0.00  -0.16  -0.14    -0.06  -0.20  -0.07     0.07   0.17   0.03
    25   1    -0.00  -0.08  -0.08    -0.12  -0.21  -0.23     0.11   0.20   0.22
    26   1     0.15  -0.15   0.32    -0.06   0.03  -0.03     0.10  -0.11   0.19
    27   1     0.17  -0.01   0.19    -0.03   0.02  -0.02     0.11  -0.03   0.14
    28   1    -0.00   0.16   0.14     0.06  -0.20  -0.07     0.07  -0.17  -0.03
    29   1    -0.00   0.08   0.08     0.12  -0.21  -0.23     0.11  -0.20  -0.22
    30   1     0.10   0.01   0.01    -0.23  -0.08   0.13    -0.15  -0.03   0.06
    31   1     0.16  -0.03  -0.15    -0.21  -0.02   0.21    -0.18  -0.01   0.18
    32   1    -0.06  -0.04   0.03    -0.01   0.01  -0.02    -0.06  -0.02   0.01
    33   1     0.09   0.07  -0.10    -0.04  -0.01   0.02     0.08   0.07  -0.06
    34   1     0.09  -0.07   0.10     0.04  -0.01   0.02     0.08  -0.07   0.06
    35   1    -0.06   0.04  -0.03     0.01   0.01  -0.02    -0.06   0.02  -0.01
    36   1     0.17   0.01  -0.19     0.03   0.02  -0.02     0.11   0.03  -0.13
    37   1     0.15   0.15  -0.32     0.06   0.03  -0.03     0.10   0.11  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.8886               543.5647               554.4367
 Red. masses --      1.6846                 1.7181                 1.7983
 Frc consts  --      0.2861                 0.2991                 0.3257
 IR Inten    --      2.7066                 2.4561                 1.6797
 RamAct Fr= 1--      0.5259                 0.1019                 0.0812
  Dep-P Fr= 1--      0.2361                 0.7470                 0.7500
  Dep-U Fr= 1--      0.3820                 0.8552                 0.8571
 Alpha2 Fr= 1--      0.0065                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0335                 0.0145                 0.0116
 AlphaG Fr= 1--     -0.0121                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.7174                -0.3825                 0.1632
 Delta2 Fr= 1--      0.3996                -0.1024                 0.0933
 Raman1 Fr= 1--       2.104                  0.408                  0.325
 ROA1   Fr= 1--      81.654                -39.992                 18.651
 CID1   Fr= 1--      38.817                -98.086                 57.454
 Raman2 Fr= 1--       0.402                  0.174                  0.139
 ROA2   Fr= 1--      14.020                 -8.360                  3.170
 CID2   Fr= 1--      34.895                -47.950                 22.784
 Raman3 Fr= 1--       0.804                  0.349                  0.278
 ROA3   Fr= 1--      81.654                -39.992                 18.651
 CID3   Fr= 1--     101.613               -114.696                 67.030
 RC180  Fr= 1--      -0.236                  0.710                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.08   0.01   0.09    -0.01  -0.00  -0.01
     2   6     0.00   0.00  -0.00    -0.08   0.01   0.08     0.01  -0.00  -0.01
     3   7     0.02   0.02  -0.03     0.00   0.08  -0.08    -0.01  -0.02   0.02
     4  45    -0.01   0.00  -0.00     0.00  -0.02  -0.00    -0.00   0.01  -0.03
     5   7    -0.03   0.02   0.07    -0.01  -0.01   0.02    -0.04   0.01   0.08
     6   6     0.08   0.03  -0.02     0.00   0.00  -0.00     0.08   0.02  -0.02
     7   6     0.02  -0.08  -0.02     0.00  -0.00  -0.00     0.02  -0.09  -0.01
     8   7    -0.03   0.02   0.07     0.01   0.02   0.02    -0.03   0.02   0.07
     9   7     0.02  -0.02   0.03    -0.00   0.08  -0.08     0.01  -0.02   0.01
    10   7    -0.03  -0.02  -0.07     0.01  -0.01   0.03     0.04   0.01   0.08
    11   6     0.08  -0.03   0.02    -0.01   0.00  -0.00    -0.08   0.02  -0.02
    12   6     0.02   0.08   0.02    -0.00  -0.00  -0.00    -0.02  -0.09  -0.01
    13   7    -0.03  -0.02  -0.07    -0.01   0.02   0.02     0.03   0.02   0.07
    14   1     0.24   0.13  -0.14     0.04   0.03  -0.02     0.26   0.13  -0.14
    15   1    -0.13   0.07  -0.14    -0.03  -0.00  -0.03    -0.15   0.06  -0.16
    16   1     0.01  -0.28  -0.13    -0.01  -0.04  -0.02     0.02  -0.29  -0.13
    17   1    -0.13   0.08  -0.14    -0.01   0.03  -0.04    -0.13   0.08  -0.14
    18   1     0.01   0.28   0.13     0.01  -0.04  -0.02    -0.02  -0.29  -0.13
    19   1    -0.12  -0.08   0.14     0.01   0.03  -0.04     0.13   0.08  -0.14
    20   1     0.24  -0.12   0.14    -0.04   0.03  -0.02    -0.26   0.13  -0.15
    21   1    -0.12  -0.07   0.14     0.03  -0.00  -0.03     0.15   0.06  -0.16
    22   1    -0.10  -0.01   0.10     0.01   0.05  -0.10     0.10   0.00  -0.10
    23   1    -0.17  -0.08  -0.15     0.12   0.02   0.09     0.17   0.08   0.16
    24   1    -0.07  -0.07   0.15     0.01   0.01  -0.03     0.04   0.09  -0.06
    25   1    -0.18  -0.14  -0.18     0.03   0.05   0.05     0.12   0.06   0.13
    26   1     0.00  -0.01  -0.02    -0.02   0.11  -0.31     0.03  -0.04   0.13
    27   1     0.05  -0.05   0.04    -0.06  -0.17  -0.06    -0.03   0.09  -0.00
    28   1    -0.07   0.07  -0.15    -0.01   0.01  -0.03    -0.04   0.09  -0.06
    29   1    -0.18   0.14   0.18    -0.02   0.05   0.05    -0.12   0.05   0.13
    30   1    -0.10   0.01  -0.10    -0.01   0.05  -0.10    -0.10   0.00  -0.10
    31   1    -0.17   0.08   0.15    -0.12   0.02   0.08    -0.17   0.07   0.16
    32   1    -0.00  -0.00   0.00     0.33  -0.10   0.27    -0.06   0.02  -0.04
    33   1     0.02   0.01  -0.01    -0.01  -0.26  -0.13     0.02   0.06   0.02
    34   1     0.02  -0.01   0.01     0.01  -0.26  -0.13    -0.02   0.06   0.02
    35   1    -0.00   0.00  -0.00    -0.33  -0.11   0.27     0.06   0.02  -0.04
    36   1     0.05   0.05  -0.04     0.06  -0.17  -0.06     0.03   0.09  -0.00
    37   1     0.00   0.01   0.02     0.02   0.11  -0.31    -0.03  -0.04   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    683.7310               691.0945               713.7975
 Red. masses --      1.2952                 1.2974                 1.3007
 Frc consts  --      0.3567                 0.3651                 0.3905
 IR Inten    --      2.5754                 0.0341                 0.5316
 RamAct Fr= 1--      0.5302                 1.6097                 0.8129
  Dep-P Fr= 1--      0.7500                 0.0529                 0.5710
  Dep-U Fr= 1--      0.8571                 0.1004                 0.7269
 Alpha2 Fr= 1--      0.0000                 0.0316                 0.0027
 Beta2  Fr= 1--      0.0757                 0.0269                 0.0985
 AlphaG Fr= 1--      0.0000                 0.0016                -0.1040
 Gamma2 Fr= 1--      2.9167                 2.3961                -3.5364
 Delta2 Fr= 1--     -0.0821                -0.1118                 0.2863
 Raman1 Fr= 1--       2.121                  6.439                  3.252
 ROA1   Fr= 1--     277.374                226.447               -330.337
 CID1   Fr= 1--     130.779                 35.169               -101.587
 Raman2 Fr= 1--       0.909                  0.323                  1.182
 ROA2   Fr= 1--      70.657                 58.401                -87.164
 CID2   Fr= 1--      77.736                180.627                -73.754
 Raman3 Fr= 1--       1.818                  0.647                  2.364
 ROA3   Fr= 1--     277.374                226.447               -330.337
 CID3   Fr= 1--     152.580                350.186               -139.757
 RC180  Fr= 1--       0.714                 -0.799                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.02   0.00   0.01    -0.00   0.01   0.01
     2   6    -0.01  -0.00   0.01    -0.02  -0.00  -0.01    -0.00  -0.01  -0.01
     3   7    -0.01  -0.01  -0.02    -0.01  -0.05  -0.07    -0.01  -0.04  -0.04
     4  45    -0.00   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.05  -0.03   0.01    -0.03   0.02  -0.01     0.05  -0.04   0.02
     6   6     0.00  -0.02  -0.01    -0.01   0.00  -0.01    -0.00  -0.02  -0.00
     7   6    -0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.02  -0.00   0.00
     8   7    -0.07   0.02  -0.03     0.04  -0.02   0.01    -0.05   0.02  -0.01
     9   7     0.01  -0.01  -0.02    -0.01   0.05   0.07    -0.01   0.04   0.04
    10   7    -0.05  -0.03   0.01    -0.03  -0.02   0.01     0.05   0.04  -0.02
    11   6    -0.00  -0.02  -0.01    -0.01  -0.00   0.01    -0.00   0.02   0.00
    12   6     0.01  -0.00  -0.00     0.01  -0.01   0.01    -0.02   0.00  -0.00
    13   7     0.07   0.02  -0.03     0.04   0.02  -0.01    -0.05  -0.02   0.01
    14   1     0.05   0.05  -0.01    -0.08  -0.06   0.03     0.05   0.06  -0.02
    15   1    -0.05   0.01  -0.02     0.08  -0.02   0.04    -0.08   0.01  -0.04
    16   1     0.03   0.12   0.02    -0.02  -0.01   0.01     0.01   0.09   0.03
    17   1     0.06  -0.08   0.06    -0.00   0.01  -0.01     0.05  -0.06   0.03
    18   1    -0.03   0.12   0.02    -0.02   0.01  -0.01     0.01  -0.09  -0.03
    19   1    -0.06  -0.08   0.06    -0.00  -0.01   0.01     0.05   0.06  -0.04
    20   1    -0.05   0.05  -0.01    -0.08   0.06  -0.03     0.05  -0.06   0.02
    21   1     0.05   0.01  -0.02     0.08   0.02  -0.04    -0.08  -0.01   0.04
    22   1    -0.05   0.09  -0.27    -0.03   0.07  -0.18     0.07  -0.12   0.29
    23   1     0.21   0.04   0.15     0.14   0.04   0.12    -0.22  -0.06  -0.17
    24   1    -0.10   0.13   0.34    -0.04   0.08   0.18     0.05  -0.09  -0.23
    25   1    -0.19  -0.21  -0.21    -0.08  -0.12  -0.10     0.13   0.13   0.14
    26   1     0.04  -0.03   0.10    -0.09   0.10  -0.35    -0.05   0.07  -0.24
    27   1    -0.07   0.09  -0.04     0.17  -0.33   0.13     0.10  -0.24   0.09
    28   1     0.10   0.14   0.34    -0.04  -0.07  -0.18     0.05   0.09   0.23
    29   1     0.19  -0.21  -0.22    -0.08   0.12   0.10     0.13  -0.13  -0.14
    30   1     0.05   0.09  -0.27    -0.03  -0.07   0.18     0.07   0.12  -0.28
    31   1    -0.21   0.04   0.15     0.14  -0.04  -0.11    -0.22   0.06   0.17
    32   1    -0.01  -0.01   0.03     0.11  -0.02   0.03     0.09  -0.01   0.03
    33   1     0.02   0.00   0.00    -0.03  -0.08  -0.07    -0.03  -0.06  -0.04
    34   1    -0.02   0.00   0.00    -0.04   0.08   0.07    -0.03   0.06   0.04
    35   1     0.01  -0.01   0.03     0.11   0.02  -0.03     0.09   0.01  -0.03
    36   1     0.07   0.08  -0.04     0.17   0.34  -0.14     0.10   0.25  -0.09
    37   1    -0.03  -0.03   0.10    -0.09  -0.10   0.35    -0.05  -0.07   0.25
                     28                     29                     30
                      A                      A                      A
 Frequencies --    720.9487               754.9434               772.1579
 Red. masses --      1.4475                 1.4147                 1.4460
 Frc consts  --      0.4433                 0.4750                 0.5080
 IR Inten    --      7.3762                 8.1455                17.6844
 RamAct Fr= 1--      0.0394                 0.8668                 0.6466
  Dep-P Fr= 1--      0.7424                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8522                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0056                 0.1238                 0.0924
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.2024                 1.8922                -1.6383
 Delta2 Fr= 1--     -0.0209                 0.1361                -0.0101
 Raman1 Fr= 1--       0.158                  3.467                  2.586
 ROA1   Fr= 1--     -20.101                186.012               -157.600
 CID1   Fr= 1--    -127.585                 53.650                -60.938
 Raman2 Fr= 1--       0.067                  1.486                  1.108
 ROA2   Fr= 1--      -4.691                 44.325                -39.238
 CID2   Fr= 1--     -69.874                 29.830                -35.401
 Raman3 Fr= 1--       0.134                  2.972                  2.217
 ROA3   Fr= 1--     -20.101                186.012               -157.600
 CID3   Fr= 1--    -149.719                 62.592                -71.095
 RC180  Fr= 1--       0.704                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.01     0.02   0.01   0.04     0.01   0.00  -0.00
     2   6    -0.02   0.02   0.01    -0.02   0.01   0.04     0.01  -0.00   0.00
     3   7     0.01  -0.01  -0.04    -0.03  -0.05  -0.08     0.00   0.01   0.00
     4  45     0.00  -0.01   0.01    -0.00   0.01   0.01    -0.02  -0.00  -0.00
     5   7    -0.05   0.07  -0.02     0.01   0.00  -0.00     0.06  -0.04   0.01
     6   6     0.04   0.01  -0.01    -0.02  -0.00  -0.01    -0.03   0.00  -0.01
     7   6     0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
     8   7    -0.06   0.01  -0.01     0.04  -0.03   0.00     0.07  -0.03   0.02
     9   7    -0.01  -0.01  -0.04     0.03  -0.05  -0.08     0.00  -0.01  -0.00
    10   7     0.05   0.07  -0.02    -0.01   0.00  -0.00     0.06   0.04  -0.01
    11   6    -0.04   0.01  -0.01     0.02  -0.00  -0.01    -0.03  -0.00   0.01
    12   6    -0.02  -0.03  -0.01     0.00   0.01  -0.01    -0.01  -0.04   0.01
    13   7     0.06   0.01  -0.01    -0.04  -0.03   0.00     0.07   0.03  -0.02
    14   1     0.06  -0.06  -0.06    -0.09  -0.03   0.04    -0.13   0.03   0.10
    15   1     0.01   0.04   0.01     0.06  -0.02   0.03     0.06  -0.05   0.01
    16   1     0.07  -0.07  -0.07    -0.04   0.03   0.04    -0.09   0.09   0.10
    17   1    -0.05  -0.00  -0.01     0.03  -0.01   0.00     0.07  -0.01   0.01
    18   1    -0.06  -0.07  -0.07     0.04   0.03   0.04    -0.09  -0.09  -0.10
    19   1     0.05  -0.00  -0.01    -0.03  -0.01   0.00     0.07   0.01  -0.01
    20   1    -0.06  -0.06  -0.06     0.09  -0.03   0.04    -0.13  -0.03  -0.10
    21   1    -0.01   0.04   0.01    -0.06  -0.02   0.03     0.06   0.05  -0.01
    22   1     0.11  -0.17   0.34    -0.03   0.03  -0.02     0.10  -0.14   0.28
    23   1    -0.27  -0.03  -0.20     0.04  -0.03   0.01    -0.23  -0.01  -0.16
    24   1    -0.07   0.15   0.22     0.04  -0.08  -0.17    -0.08   0.17   0.30
    25   1    -0.10  -0.16  -0.12     0.08   0.11   0.10    -0.14  -0.21  -0.18
    26   1     0.07  -0.02   0.09     0.13  -0.10   0.35     0.00  -0.01   0.04
    27   1    -0.08   0.09  -0.06    -0.24   0.35  -0.16    -0.02   0.04  -0.01
    28   1     0.07   0.15   0.22    -0.04  -0.08  -0.17    -0.08  -0.17  -0.30
    29   1     0.10  -0.16  -0.12    -0.08   0.11   0.10    -0.14   0.21   0.18
    30   1    -0.11  -0.17   0.34     0.03   0.03  -0.02     0.10   0.14  -0.28
    31   1     0.27  -0.03  -0.20    -0.04  -0.03   0.01    -0.23   0.01   0.16
    32   1     0.08  -0.03   0.11     0.01  -0.05   0.16    -0.01   0.00  -0.01
    33   1    -0.01  -0.07  -0.07     0.04  -0.01  -0.05     0.01   0.01   0.01
    34   1     0.01  -0.07  -0.07    -0.04  -0.01  -0.05     0.01  -0.01  -0.01
    35   1    -0.08  -0.03   0.11    -0.01  -0.05   0.16    -0.01  -0.00   0.01
    36   1     0.08   0.09  -0.06     0.24   0.35  -0.16    -0.02  -0.04   0.01
    37   1    -0.07  -0.02   0.09    -0.13  -0.10   0.35     0.00   0.01  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2216               866.9085               867.4157
 Red. masses --      3.1238                 3.1664                 2.7772
 Frc consts  --      1.3810                 1.4020                 1.2312
 IR Inten    --     10.8397                 8.7066                 2.8453
 RamAct Fr= 1--      0.4258                 1.6255                 5.2883
  Dep-P Fr= 1--      0.7500                 0.7475                 0.1558
  Dep-U Fr= 1--      0.8571                 0.8555                 0.2696
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0806
 Beta2  Fr= 1--      0.0608                 0.2318                 0.2376
 AlphaG Fr= 1--     -0.0000                 0.0012                -0.0311
 Gamma2 Fr= 1--      0.8470                 0.5157                 1.3338
 Delta2 Fr= 1--      0.8485                 0.3367                -0.1303
 Raman1 Fr= 1--       1.703                  6.502                 21.153
 ROA1   Fr= 1--     108.469                 60.281                123.874
 CID1   Fr= 1--      63.691                  9.271                  5.856
 Raman2 Fr= 1--       0.730                  2.781                  2.851
 ROA2   Fr= 1--      13.541                  9.683                 33.054
 CID2   Fr= 1--      18.552                  3.481                 11.593
 Raman3 Fr= 1--       1.460                  5.563                  5.702
 ROA3   Fr= 1--     108.469                 60.281                123.874
 CID3   Fr= 1--      74.308                 10.837                 21.724
 RC180  Fr= 1--       0.714                  0.711                 -0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.02     0.15   0.02   0.12    -0.04  -0.01  -0.03
     2   6    -0.01   0.04  -0.02     0.15  -0.02  -0.12    -0.04   0.01   0.03
     3   7     0.04  -0.03   0.01    -0.11   0.06  -0.06     0.03  -0.01   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.11  -0.07    -0.03  -0.09  -0.07     0.00   0.02   0.03
     6   6     0.15   0.06  -0.00     0.10   0.05   0.02     0.10   0.02  -0.10
     7   6    -0.03   0.16   0.03    -0.02   0.11   0.04    -0.00   0.09  -0.09
     8   7    -0.06  -0.06   0.05    -0.03  -0.03   0.02    -0.11  -0.10   0.10
     9   7    -0.03  -0.03   0.01    -0.11  -0.05   0.06     0.03   0.01  -0.02
    10   7     0.03  -0.12  -0.08    -0.02   0.08   0.06     0.00  -0.02  -0.04
    11   6    -0.16   0.06  -0.00     0.09  -0.04  -0.02     0.10  -0.02   0.10
    12   6     0.03   0.17   0.04    -0.02  -0.09  -0.04    -0.00  -0.09   0.09
    13   7     0.06  -0.06   0.05    -0.02   0.02  -0.01    -0.11   0.10  -0.10
    14   1     0.08  -0.03   0.02     0.09  -0.02  -0.01    -0.15  -0.07   0.11
    15   1     0.25  -0.09  -0.07     0.13  -0.03  -0.04     0.43  -0.16  -0.05
    16   1    -0.05  -0.02  -0.05    -0.02  -0.07  -0.06    -0.07   0.23   0.07
    17   1    -0.28   0.24   0.07    -0.24   0.20   0.05     0.09  -0.06   0.05
    18   1     0.06  -0.02  -0.05    -0.02   0.06   0.05    -0.07  -0.23  -0.07
    19   1     0.29   0.25   0.07    -0.22  -0.18  -0.04     0.09   0.07  -0.05
    20   1    -0.08  -0.03   0.02     0.09   0.02   0.01    -0.15   0.07  -0.11
    21   1    -0.26  -0.09  -0.08     0.10   0.02   0.03     0.43   0.16   0.05
    22   1     0.10  -0.18  -0.15    -0.05   0.11   0.08    -0.09   0.10  -0.03
    23   1     0.07  -0.07  -0.04    -0.03   0.05   0.05    -0.04   0.03  -0.04
    24   1     0.11  -0.19   0.09    -0.05   0.10  -0.04    -0.07   0.07  -0.21
    25   1     0.03  -0.09   0.04    -0.01   0.06  -0.00     0.01   0.03  -0.05
    26   1     0.02  -0.03   0.05    -0.10  -0.04  -0.02     0.03   0.00   0.01
    27   1    -0.00  -0.00   0.01    -0.22  -0.14   0.05     0.05   0.04  -0.02
    28   1    -0.10  -0.19   0.09    -0.06  -0.12   0.05    -0.07  -0.07   0.21
    29   1    -0.03  -0.08   0.03    -0.02  -0.06   0.01     0.01  -0.03   0.05
    30   1    -0.09  -0.17  -0.14    -0.06  -0.13  -0.09    -0.09  -0.10   0.03
    31   1    -0.06  -0.06  -0.04    -0.03  -0.06  -0.05    -0.04  -0.03   0.04
    32   1     0.07  -0.03   0.09    -0.01   0.06   0.05    -0.01  -0.02  -0.01
    33   1    -0.02  -0.05  -0.14     0.07   0.05   0.37    -0.01  -0.01  -0.09
    34   1     0.01  -0.04  -0.11     0.07  -0.04  -0.36    -0.01   0.00   0.08
    35   1    -0.07  -0.02   0.10    -0.01  -0.06  -0.06    -0.01   0.02   0.01
    36   1     0.02  -0.01   0.01    -0.22   0.14  -0.06     0.05  -0.04   0.02
    37   1    -0.01  -0.03   0.05    -0.11   0.04   0.02     0.03  -0.01  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.8980               870.1582               875.9344
 Red. masses --      2.9020                 2.5180                 2.4938
 Frc consts  --      1.2909                 1.1233                 1.1273
 IR Inten    --      1.7552                 0.4588                 1.2362
 RamAct Fr= 1--      7.6018                 2.9615                 0.2536
  Dep-P Fr= 1--      0.0572                 0.7461                 0.7497
  Dep-U Fr= 1--      0.1082                 0.8546                 0.8570
 Alpha2 Fr= 1--      0.1476                 0.0002                 0.0000
 Beta2  Fr= 1--      0.1371                 0.4218                 0.0362
 AlphaG Fr= 1--     -0.0441                -0.0001                -0.0000
 Gamma2 Fr= 1--     -0.6224                -1.3013                 0.2180
 Delta2 Fr= 1--     -1.3865                -0.6630                -0.0306
 Raman1 Fr= 1--      30.407                 11.846                  1.014
 ROA1   Fr= 1--    -104.112               -146.143                 19.947
 CID1   Fr= 1--      -3.424                -12.337                 19.663
 Raman2 Fr= 1--       1.645                  5.062                  0.435
 ROA2   Fr= 1--      -3.845                -25.928                  5.477
 CID2   Fr= 1--      -2.338                 -5.122                 12.599
 Raman3 Fr= 1--       3.290                 10.123                  0.869
 ROA3   Fr= 1--    -104.112               -146.143                 19.947
 CID3   Fr= 1--     -31.650                -14.436                 22.945
 RC180  Fr= 1--      -0.784                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09    -0.01  -0.13   0.07    -0.00  -0.04   0.03
     2   6     0.11  -0.02  -0.08     0.00  -0.13   0.08    -0.00  -0.04   0.03
     3   7    -0.09   0.05  -0.03    -0.11   0.10  -0.07    -0.04   0.02  -0.04
     4  45     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.01
     5   7     0.03   0.12   0.08    -0.01   0.01   0.00    -0.03  -0.08  -0.08
     6   6    -0.07  -0.04  -0.06     0.04   0.02  -0.04    -0.02   0.01   0.11
     7   6     0.03  -0.10  -0.08     0.00   0.04  -0.02    -0.01  -0.01   0.11
     8   7    -0.01   0.00   0.02    -0.04  -0.04   0.04     0.06   0.07  -0.09
     9   7    -0.08  -0.04   0.03     0.12   0.10  -0.07     0.04   0.02  -0.04
    10   7     0.03  -0.12  -0.09     0.01   0.02   0.00     0.03  -0.08  -0.08
    11   6    -0.08   0.04   0.06    -0.04   0.02  -0.04     0.02   0.01   0.11
    12   6     0.03   0.10   0.08    -0.00   0.04  -0.03     0.01  -0.01   0.11
    13   7    -0.01  -0.00  -0.01     0.04  -0.04   0.04    -0.06   0.07  -0.09
    14   1    -0.17  -0.02   0.05    -0.07  -0.06   0.04     0.24   0.05  -0.13
    15   1     0.03  -0.02   0.04     0.19  -0.05  -0.00    -0.32   0.14   0.02
    16   1    -0.00   0.14   0.09    -0.03   0.04   0.01     0.09  -0.22  -0.12
    17   1     0.30  -0.25  -0.04    -0.01   0.01   0.01    -0.25   0.17   0.01
    18   1     0.00  -0.14  -0.09     0.03   0.04   0.01    -0.09  -0.22  -0.12
    19   1     0.30   0.25   0.04    -0.00   0.01   0.01     0.25   0.17   0.01
    20   1    -0.17   0.01  -0.05     0.07  -0.06   0.04    -0.24   0.05  -0.13
    21   1     0.02   0.01  -0.04    -0.19  -0.05  -0.00     0.32   0.14   0.02
    22   1     0.03  -0.10  -0.15     0.04  -0.05   0.06    -0.03  -0.02  -0.06
    23   1     0.03  -0.03  -0.05    -0.00  -0.05  -0.03    -0.04  -0.01  -0.09
    24   1     0.05  -0.13  -0.02     0.03  -0.02   0.06    -0.04   0.01  -0.07
    25   1     0.02  -0.05  -0.01     0.02  -0.03   0.03    -0.04  -0.02  -0.10
    26   1    -0.09  -0.04   0.02    -0.01   0.09  -0.08     0.00   0.01   0.03
    27   1    -0.17  -0.06   0.02     0.01   0.10  -0.09    -0.02   0.10  -0.06
    28   1     0.04   0.13   0.02    -0.03  -0.02   0.06     0.04   0.01  -0.07
    29   1     0.02   0.05   0.01    -0.02  -0.03   0.03     0.04  -0.02  -0.10
    30   1     0.03   0.10   0.15    -0.04  -0.05   0.06     0.03  -0.02  -0.06
    31   1     0.03   0.02   0.05     0.00  -0.05  -0.03     0.04  -0.01  -0.09
    32   1    -0.05   0.05   0.02    -0.22   0.07  -0.29    -0.08   0.01  -0.05
    33   1     0.06   0.06   0.31     0.05   0.15   0.41     0.02   0.05   0.12
    34   1     0.06  -0.05  -0.28    -0.06   0.15   0.44    -0.02   0.05   0.13
    35   1    -0.03  -0.04  -0.04     0.22   0.07  -0.29     0.08   0.01  -0.05
    36   1    -0.17   0.07  -0.03     0.00   0.09  -0.08     0.02   0.09  -0.06
    37   1    -0.09   0.05  -0.02     0.02   0.08  -0.08    -0.00   0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.0490               982.9576               983.3173
 Red. masses --      2.2022                 2.2255                 2.2179
 Frc consts  --      1.2488                 1.2669                 1.2635
 IR Inten    --      9.7356                 1.1075                 0.0123
 RamAct Fr= 1--      0.6853                 3.2749                 3.3936
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0979                 0.4678                 0.4848
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0208                 1.2103                -0.2476
 Delta2 Fr= 1--     -0.3231                 0.6209                -1.4112
 Raman1 Fr= 1--       2.741                 13.100                 13.574
 ROA1   Fr= 1--     -12.333                136.057                -68.932
 CID1   Fr= 1--      -4.499                 10.386                 -5.078
 Raman2 Fr= 1--       1.175                  5.614                  5.817
 ROA2   Fr= 1--       2.086                 24.081                  5.347
 CID2   Fr= 1--       1.776                  4.289                  0.919
 Raman3 Fr= 1--       2.350                 11.228                 11.635
 ROA3   Fr= 1--     -12.333                136.057                -68.932
 CID3   Fr= 1--      -5.249                 12.118                 -5.925
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.00  -0.00    -0.20  -0.01  -0.00     0.00  -0.00   0.00
     2   6     0.06  -0.00  -0.00     0.20  -0.01   0.00     0.00   0.00  -0.00
     3   7    -0.03   0.01   0.00    -0.09   0.02  -0.01    -0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.03  -0.06  -0.02     0.01   0.02   0.00     0.04   0.06   0.02
     6   6     0.07   0.12  -0.00    -0.02  -0.04   0.01    -0.08  -0.13  -0.00
     7   6    -0.07  -0.12   0.01     0.01   0.03  -0.01     0.07   0.13  -0.00
     8   7     0.03   0.06  -0.02    -0.01  -0.02   0.01    -0.03  -0.06   0.02
     9   7     0.02   0.01   0.00     0.09   0.02  -0.01    -0.00   0.00  -0.00
    10   7     0.03  -0.06  -0.02    -0.01   0.02   0.00     0.04  -0.06  -0.02
    11   6    -0.07   0.12   0.00     0.02  -0.04   0.01    -0.08   0.12   0.00
    12   6     0.07  -0.12   0.01    -0.01   0.04  -0.01     0.07  -0.13   0.00
    13   7    -0.03   0.06  -0.02     0.01  -0.02   0.01    -0.03   0.06  -0.02
    14   1    -0.16   0.01   0.17     0.07   0.03  -0.05     0.15  -0.01  -0.17
    15   1     0.25   0.12   0.14    -0.10  -0.04  -0.06    -0.26  -0.14  -0.15
    16   1    -0.09   0.12   0.17     0.03   0.01  -0.04     0.08  -0.14  -0.17
    17   1     0.02  -0.26   0.14     0.02   0.05  -0.03    -0.02   0.29  -0.16
    18   1     0.09   0.12   0.17    -0.03   0.01  -0.04     0.08   0.13   0.17
    19   1    -0.02  -0.27   0.14    -0.02   0.05  -0.03    -0.02  -0.29   0.16
    20   1     0.16   0.01   0.18    -0.07   0.03  -0.05     0.14   0.01   0.17
    21   1    -0.25   0.12   0.14     0.10  -0.04  -0.06    -0.25   0.13   0.15
    22   1     0.12  -0.16  -0.04    -0.02   0.03  -0.01     0.12  -0.16  -0.03
    23   1     0.09  -0.09  -0.00    -0.05   0.07   0.01     0.10  -0.10  -0.01
    24   1    -0.08   0.19  -0.05     0.03  -0.08   0.02    -0.08   0.19  -0.03
    25   1    -0.02   0.11  -0.00    -0.01  -0.00   0.00    -0.04   0.14  -0.01
    26   1     0.06   0.01   0.00     0.19   0.03   0.05     0.00   0.00  -0.00
    27   1     0.07   0.01   0.01     0.26   0.06   0.01     0.01  -0.01   0.00
    28   1     0.08   0.19  -0.05    -0.03  -0.08   0.02    -0.08  -0.19   0.03
    29   1     0.02   0.11  -0.00     0.01  -0.00   0.00    -0.04  -0.14   0.01
    30   1    -0.12  -0.16  -0.04     0.01   0.02  -0.01     0.12   0.16   0.03
    31   1    -0.09  -0.09  -0.00     0.05   0.07   0.01     0.10   0.10   0.01
    32   1     0.03  -0.04   0.07     0.10  -0.15   0.25    -0.00  -0.00   0.00
    33   1    -0.10  -0.08  -0.04    -0.33  -0.27  -0.12    -0.00  -0.00   0.01
    34   1     0.10  -0.08  -0.04     0.33  -0.27  -0.12    -0.00   0.00  -0.01
    35   1    -0.03  -0.04   0.07    -0.10  -0.15   0.25    -0.00   0.00  -0.00
    36   1    -0.07   0.01   0.01    -0.26   0.06   0.01     0.01   0.01  -0.00
    37   1    -0.06   0.01   0.00    -0.19   0.03   0.04     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    999.5208              1001.8754              1006.9001
 Red. masses --      1.2517                 1.2631                 1.2633
 Frc consts  --      0.7368                 0.7470                 0.7546
 IR Inten    --      2.5659                 8.2692                 9.5285
 RamAct Fr= 1--      1.0119                 0.0722                 0.2977
  Dep-P Fr= 1--      0.0823                 0.7499                 0.5286
  Dep-U Fr= 1--      0.1521                 0.8571                 0.6916
 Alpha2 Fr= 1--      0.0185                 0.0000                 0.0013
 Beta2  Fr= 1--      0.0257                 0.0103                 0.0343
 AlphaG Fr= 1--     -0.0164                 0.0000                 0.0560
 Gamma2 Fr= 1--      1.2607                 0.7880                -1.1305
 Delta2 Fr= 1--      0.0746                -0.1094                 0.0092
 Raman1 Fr= 1--       4.047                  0.289                  1.191
 ROA1   Fr= 1--     123.415                 72.146               -108.234
 CID1   Fr= 1--      30.492                249.861                -90.897
 Raman2 Fr= 1--       0.308                  0.124                  0.412
 ROA2   Fr= 1--      29.660                 19.786                -27.206
 CID2   Fr= 1--      96.329                159.902                -66.072
 Raman3 Fr= 1--       0.616                  0.247                  0.824
 ROA3   Fr= 1--     123.415                 72.146               -108.234
 CID3   Fr= 1--     200.410                291.525               -131.430
 RC180  Fr= 1--      -0.696                  0.714                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07   0.04     0.02  -0.00   0.00    -0.01   0.05   0.03
     2   6    -0.02  -0.07  -0.04    -0.02  -0.00   0.00    -0.01  -0.05  -0.03
     3   7    -0.00   0.02   0.00     0.01  -0.00  -0.01    -0.01   0.02   0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00  -0.00   0.01    -0.01   0.00  -0.01    -0.01   0.01  -0.01
     6   6    -0.02   0.03  -0.03     0.04  -0.04   0.04     0.03  -0.03   0.04
     7   6     0.04  -0.01   0.02    -0.06   0.00  -0.05    -0.04   0.01  -0.04
     8   7    -0.01  -0.00  -0.00     0.00  -0.00   0.02     0.01  -0.00   0.01
     9   7    -0.00  -0.02  -0.00    -0.01  -0.00  -0.01    -0.01  -0.02  -0.00
    10   7     0.00   0.00  -0.01     0.01   0.00  -0.01    -0.01  -0.01   0.01
    11   6    -0.02  -0.03   0.03    -0.04  -0.04   0.04     0.03   0.03  -0.04
    12   6     0.04   0.01  -0.02     0.06   0.00  -0.05    -0.04  -0.01   0.04
    13   7    -0.01   0.00   0.00    -0.00  -0.00   0.02     0.01   0.00  -0.01
    14   1    -0.13  -0.09   0.03     0.20   0.17  -0.01     0.17   0.14  -0.02
    15   1     0.12  -0.00   0.05    -0.18  -0.00  -0.09    -0.17   0.01  -0.07
    16   1    -0.02  -0.15  -0.01     0.04   0.27   0.02     0.04   0.22   0.00
    17   1    -0.05   0.09  -0.06     0.10  -0.18   0.10     0.08  -0.13   0.07
    18   1    -0.02   0.14   0.01    -0.04   0.27   0.03     0.05  -0.22  -0.01
    19   1    -0.05  -0.09   0.06    -0.10  -0.18   0.10     0.08   0.13  -0.07
    20   1    -0.13   0.09  -0.02    -0.20   0.17  -0.01     0.17  -0.14   0.02
    21   1     0.12   0.00  -0.05     0.18   0.00  -0.09    -0.17  -0.01   0.07
    22   1     0.08  -0.10  -0.02     0.13  -0.15  -0.03    -0.11   0.12   0.02
    23   1    -0.09   0.13  -0.00    -0.17   0.23  -0.01     0.13  -0.18   0.01
    24   1     0.04  -0.11   0.02     0.07  -0.18   0.04    -0.05   0.15  -0.02
    25   1    -0.08   0.15  -0.01    -0.12   0.27   0.00     0.09  -0.22  -0.01
    26   1     0.32   0.01   0.03     0.00  -0.00   0.01     0.24   0.00   0.04
    27   1    -0.22  -0.06  -0.03    -0.02   0.01  -0.01    -0.15  -0.03  -0.02
    28   1     0.04   0.12  -0.03    -0.07  -0.18   0.04    -0.05  -0.15   0.02
    29   1    -0.08  -0.16   0.01     0.12   0.27   0.00     0.09   0.22   0.01
    30   1     0.08   0.10   0.02    -0.13  -0.15  -0.03    -0.11  -0.12  -0.02
    31   1    -0.09  -0.14   0.00     0.17   0.23  -0.01     0.13   0.18  -0.01
    32   1     0.30   0.02   0.11    -0.01   0.01  -0.02     0.21   0.01   0.08
    33   1    -0.11  -0.16  -0.15     0.03   0.02   0.03    -0.08  -0.13  -0.10
    34   1    -0.11   0.16   0.15    -0.03   0.03   0.03    -0.08   0.12   0.10
    35   1     0.30  -0.02  -0.11     0.01   0.01  -0.03     0.21  -0.01  -0.08
    36   1    -0.23   0.06   0.03     0.01   0.01  -0.01    -0.15   0.03   0.02
    37   1     0.32  -0.01  -0.03     0.01  -0.00   0.01     0.24  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.9813              1049.0063              1049.9742
 Red. masses --      3.1900                 3.1931                 3.1436
 Frc consts  --      2.0681                 2.0702                 2.0419
 IR Inten    --     70.0807                49.1818                18.0325
 RamAct Fr= 1--      0.7234                 1.3610                 0.5238
  Dep-P Fr= 1--      0.7484                 0.6890                 0.3679
  Dep-U Fr= 1--      0.8561                 0.8159                 0.5379
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0043
 Beta2  Fr= 1--      0.1032                 0.1851                 0.0470
 AlphaG Fr= 1--      0.0002                 0.0201                 0.0008
 Gamma2 Fr= 1--     -0.7466                -0.3968                 0.5832
 Delta2 Fr= 1--     -1.5631                -0.2982                 0.4472
 Raman1 Fr= 1--       2.894                  5.444                  2.095
 ROA1   Fr= 1--    -121.691                -47.638                 70.299
 CID1   Fr= 1--     -42.053                 -8.751                 33.550
 Raman2 Fr= 1--       1.239                  2.221                  0.564
 ROA2   Fr= 1--      -5.413                 -7.138                 10.420
 CID2   Fr= 1--      -4.370                 -3.214                 18.490
 Raman3 Fr= 1--       2.477                  4.442                  1.127
 ROA3   Fr= 1--    -121.691                -47.638                 70.299
 CID3   Fr= 1--     -49.122                -10.725                 62.371
 RC180  Fr= 1--       0.712                  0.632                  0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.04   0.04  -0.09     0.09   0.10  -0.20
     2   6     0.00  -0.00   0.01     0.04  -0.04   0.09     0.09  -0.10   0.20
     3   7    -0.00   0.00  -0.00    -0.06   0.02  -0.01    -0.12   0.06  -0.02
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.06  -0.09  -0.05    -0.04  -0.07  -0.04     0.02   0.03   0.02
     6   6    -0.07   0.13   0.14    -0.05   0.10   0.10     0.03  -0.05  -0.05
     7   6     0.15   0.00  -0.14     0.11   0.01  -0.10    -0.05  -0.00   0.05
     8   7    -0.05  -0.09   0.06    -0.04  -0.07   0.04     0.02   0.03  -0.02
     9   7    -0.01  -0.00  -0.00    -0.06  -0.02   0.01    -0.12  -0.06   0.02
    10   7     0.05  -0.07  -0.04    -0.05   0.08   0.05     0.02  -0.03  -0.02
    11   6     0.06   0.11   0.11    -0.06  -0.12  -0.13     0.03   0.05   0.05
    12   6    -0.12   0.00  -0.12     0.14  -0.01   0.13    -0.06   0.00  -0.05
    13   7     0.04  -0.08   0.05    -0.04   0.09  -0.05     0.02  -0.03   0.02
    14   1    -0.05   0.23   0.16    -0.04   0.16   0.11     0.02  -0.09  -0.06
    15   1    -0.19   0.25   0.16    -0.15   0.19   0.12     0.08  -0.10  -0.07
    16   1     0.21   0.06  -0.16     0.16   0.05  -0.12    -0.09  -0.03   0.06
    17   1     0.33  -0.04  -0.17     0.24  -0.03  -0.13    -0.12   0.02   0.06
    18   1    -0.17   0.05  -0.13     0.20  -0.06   0.15    -0.09   0.03  -0.06
    19   1    -0.27  -0.04  -0.15     0.30   0.04   0.16    -0.13  -0.02  -0.07
    20   1     0.04   0.20   0.14    -0.05  -0.20  -0.14     0.02   0.09   0.06
    21   1     0.16   0.21   0.14    -0.19  -0.24  -0.15     0.08   0.11   0.07
    22   1    -0.07   0.08  -0.04     0.09  -0.10   0.05    -0.03   0.03  -0.02
    23   1    -0.01  -0.02  -0.05    -0.00   0.04   0.06     0.01  -0.02  -0.02
    24   1    -0.04   0.11   0.04     0.04  -0.12  -0.04    -0.01   0.03   0.02
    25   1     0.04  -0.03   0.06    -0.03   0.02  -0.06     0.01  -0.01   0.02
    26   1    -0.01  -0.01   0.01    -0.05  -0.03   0.02    -0.04  -0.06   0.05
    27   1     0.02  -0.00   0.00     0.10  -0.02   0.03     0.15  -0.04   0.05
    28   1     0.05   0.14   0.05     0.03   0.10   0.04    -0.01  -0.03  -0.02
    29   1    -0.04  -0.03   0.07    -0.02  -0.01   0.04     0.01   0.01  -0.02
    30   1     0.09   0.10  -0.05     0.07   0.08  -0.04    -0.03  -0.03   0.02
    31   1     0.01  -0.03  -0.06    -0.00  -0.03  -0.05     0.01   0.02   0.02
    32   1    -0.00   0.00  -0.01     0.06   0.05  -0.12     0.19   0.11  -0.24
    33   1     0.01   0.01  -0.02     0.08   0.05  -0.16     0.15   0.07  -0.41
    34   1     0.00  -0.00   0.01     0.08  -0.05   0.16     0.15  -0.07   0.41
    35   1     0.02  -0.01   0.02     0.06  -0.05   0.12     0.19  -0.11   0.24
    36   1    -0.00   0.00  -0.00     0.10   0.02  -0.03     0.15   0.04  -0.05
    37   1     0.00  -0.00   0.00    -0.05   0.03  -0.02    -0.04   0.06  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.6536              1114.7610              1122.3411
 Red. masses --      1.0219                 1.0233                 1.0312
 Frc consts  --      0.7481                 0.7492                 0.7653
 IR Inten    --      0.9855                 0.5359                 0.1790
 RamAct Fr= 1--      0.6724                 0.7169                 0.3548
  Dep-P Fr= 1--      0.7467                 0.7495                 0.7497
  Dep-U Fr= 1--      0.8550                 0.8568                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0958                 0.1024                 0.0507
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.5791                -0.3890                 0.0813
 Delta2 Fr= 1--      0.1315                -0.0681                -0.0824
 Raman1 Fr= 1--       2.689                  2.868                  1.419
 ROA1   Fr= 1--      59.796                -39.518                  5.169
 CID1   Fr= 1--      22.234                -13.781                  3.642
 Raman2 Fr= 1--       1.150                  1.228                  0.608
 ROA2   Fr= 1--      12.845                 -8.791                  2.611
 CID2   Fr= 1--      11.173                 -7.156                  4.294
 Raman3 Fr= 1--       2.299                  2.457                  1.216
 ROA3   Fr= 1--      59.796                -39.518                  5.169
 CID3   Fr= 1--      26.006                -16.084                  4.250
 RC180  Fr= 1--       0.710                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.00
     3   7    -0.01   0.00  -0.01     0.01  -0.01   0.01    -0.02   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.01   0.01
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
     7   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     8   7     0.01   0.01  -0.01     0.00  -0.00   0.00    -0.01  -0.00   0.01
     9   7     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.02   0.00   0.00
    10   7    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01   0.01   0.01
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
    13   7     0.01  -0.00   0.00     0.01  -0.01   0.01     0.01  -0.00   0.01
    14   1    -0.05   0.26   0.18     0.00  -0.01  -0.01     0.04  -0.20  -0.14
    15   1     0.01  -0.15  -0.13    -0.00   0.02   0.01     0.01   0.09   0.09
    16   1    -0.25  -0.07   0.19     0.02   0.02  -0.01     0.18   0.06  -0.14
    17   1     0.12   0.05  -0.12     0.00  -0.00  -0.00    -0.07  -0.06   0.09
    18   1    -0.14   0.04  -0.11    -0.21   0.07  -0.16    -0.18   0.06  -0.14
    19   1     0.08  -0.03   0.08     0.09  -0.04   0.09     0.07  -0.06   0.09
    20   1    -0.03  -0.16  -0.11    -0.04  -0.21  -0.15    -0.04  -0.20  -0.14
    21   1     0.01   0.08   0.07     0.01   0.12   0.11    -0.01   0.09   0.09
    22   1    -0.06   0.07   0.05    -0.09   0.10   0.06    -0.10   0.12   0.07
    23   1     0.12  -0.20  -0.02     0.18  -0.27  -0.02     0.13  -0.22  -0.02
    24   1     0.03  -0.08   0.05     0.05  -0.15   0.07     0.05  -0.13   0.07
    25   1    -0.11   0.20  -0.02    -0.14   0.26  -0.03    -0.13   0.23  -0.03
    26   1    -0.16  -0.02   0.00     0.34   0.03  -0.00    -0.28  -0.02  -0.02
    27   1     0.11   0.05   0.00    -0.18  -0.10   0.00     0.08   0.06   0.00
    28   1     0.06   0.17  -0.09    -0.01  -0.03   0.01    -0.04  -0.13   0.07
    29   1    -0.17  -0.33   0.04     0.00   0.01   0.00     0.13   0.23  -0.03
    30   1    -0.11  -0.12  -0.08     0.01   0.01   0.00     0.10   0.12   0.07
    31   1     0.21   0.33   0.02    -0.02  -0.02  -0.00    -0.13  -0.22  -0.02
    32   1    -0.08  -0.05   0.10     0.19   0.11  -0.22    -0.14  -0.08   0.17
    33   1     0.04   0.03  -0.03    -0.11  -0.08   0.10     0.08   0.06  -0.10
    34   1    -0.06   0.04  -0.06     0.10  -0.08   0.09    -0.08   0.06  -0.10
    35   1     0.09  -0.05   0.10    -0.19   0.10  -0.22     0.14  -0.08   0.17
    36   1    -0.07   0.04  -0.00     0.20  -0.10  -0.00    -0.08   0.05   0.00
    37   1     0.16  -0.02   0.00    -0.34   0.03  -0.01     0.28  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1169.7392              1172.2164              1187.5741
 Red. masses --      1.0756                 1.0709                 1.0598
 Frc consts  --      0.8671                 0.8670                 0.8807
 IR Inten    --     75.6774                66.4289                 1.6260
 RamAct Fr= 1--      7.4700                 8.1127                 8.5657
  Dep-P Fr= 1--      0.7499                 0.7384                 0.3332
  Dep-U Fr= 1--      0.8571                 0.8495                 0.4999
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0793
 Beta2  Fr= 1--      1.0670                 1.1486                 0.7136
 AlphaG Fr= 1--      0.0001                 0.0272                 0.1437
 Gamma2 Fr= 1--     -3.9052                -0.3608                -0.2065
 Delta2 Fr= 1--      2.3594                 4.3872                -5.2967
 Raman1 Fr= 1--      29.880                 32.451                 34.263
 ROA1   Fr= 1--    -299.401                105.753               -189.319
 CID1   Fr= 1--     -10.020                  3.259                 -5.526
 Raman2 Fr= 1--      12.805                 13.784                  8.563
 ROA2   Fr= 1--    -112.601                -43.757                 37.418
 CID2   Fr= 1--      -8.794                 -3.175                  4.370
 Raman3 Fr= 1--      25.609                 27.567                 17.126
 ROA3   Fr= 1--    -299.401                105.753               -189.319
 CID3   Fr= 1--     -11.691                  3.836                -11.054
 RC180  Fr= 1--       0.714                  0.699                 -0.000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7     0.00  -0.00  -0.00    -0.03   0.00   0.02    -0.03   0.01   0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
     8   7    -0.00  -0.04  -0.00    -0.00  -0.02   0.00    -0.00   0.03  -0.00
     9   7    -0.00  -0.00  -0.00    -0.03  -0.00  -0.02    -0.03  -0.01  -0.01
    10   7     0.03  -0.02   0.00    -0.02   0.01  -0.00     0.01  -0.01  -0.01
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    13   7     0.00  -0.04  -0.00    -0.00   0.02  -0.00     0.00  -0.03   0.00
    14   1     0.01   0.02   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    15   1     0.06  -0.22  -0.18     0.03  -0.14  -0.12    -0.01   0.17   0.15
    16   1     0.02   0.01  -0.01     0.03   0.01  -0.02    -0.01  -0.02   0.01
    17   1    -0.22  -0.06   0.19    -0.15  -0.04   0.13     0.17   0.06  -0.16
    18   1    -0.02   0.01  -0.01     0.03  -0.01   0.02    -0.01   0.02  -0.01
    19   1     0.21  -0.06   0.18    -0.16   0.04  -0.13     0.17  -0.06   0.16
    20   1    -0.01   0.02   0.00    -0.00   0.00   0.00    -0.02   0.03   0.01
    21   1    -0.06  -0.22  -0.17     0.03   0.14   0.12    -0.01  -0.17  -0.15
    22   1    -0.20   0.28  -0.00     0.14  -0.20   0.01    -0.14   0.18   0.01
    23   1    -0.16   0.11  -0.04     0.11  -0.07   0.03    -0.10   0.07  -0.03
    24   1    -0.14   0.31   0.01     0.09  -0.21   0.01    -0.11   0.26  -0.01
    25   1    -0.02   0.20   0.03     0.02  -0.15  -0.03    -0.01   0.14   0.03
    26   1     0.04   0.00   0.01     0.20  -0.00   0.10     0.18  -0.00   0.08
    27   1     0.04  -0.00   0.00     0.35   0.01   0.04     0.32   0.01   0.04
    28   1     0.15   0.32   0.01     0.09   0.20  -0.01    -0.11  -0.26   0.01
    29   1     0.02   0.21   0.04     0.02   0.15   0.02    -0.01  -0.14  -0.03
    30   1     0.20   0.28  -0.00     0.13   0.19  -0.01    -0.13  -0.18  -0.01
    31   1     0.16   0.12  -0.04     0.10   0.07  -0.02    -0.10  -0.07   0.03
    32   1     0.00   0.01  -0.02     0.02   0.01  -0.02     0.01   0.01  -0.02
    33   1    -0.01  -0.02   0.02    -0.17  -0.12   0.23    -0.16  -0.12   0.20
    34   1     0.01  -0.01   0.01    -0.17   0.12  -0.23    -0.16   0.12  -0.20
    35   1    -0.00   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.01   0.02
    36   1    -0.03  -0.01   0.00     0.35  -0.01  -0.04     0.32  -0.01  -0.04
    37   1    -0.03   0.00   0.00     0.20   0.00  -0.10     0.18   0.00  -0.08
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1220.9687              1225.8555              1244.6043
 Red. masses --      1.2511                 1.2539                 1.2432
 Frc consts  --      1.0989                 1.1102                 1.1346
 IR Inten    --     10.0385                 4.2227                23.5377
 RamAct Fr= 1--      5.7924                 5.4263                 0.9269
  Dep-P Fr= 1--      0.7443                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8534                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0000
 Beta2  Fr= 1--      0.8239                 0.7752                 0.1324
 AlphaG Fr= 1--     -0.0003                 0.0000                -0.0000
 Gamma2 Fr= 1--      3.8973                -0.7424                -0.2693
 Delta2 Fr= 1--      0.5565                 0.0433                -0.1752
 Raman1 Fr= 1--      23.170                 21.705                  3.708
 ROA1   Fr= 1--     391.949                -69.880                -31.455
 CID1   Fr= 1--      16.917                 -3.219                 -8.484
 Raman2 Fr= 1--       9.887                  9.302                  1.589
 ROA2   Fr= 1--      89.083                -18.163                 -5.061
 CID2   Fr= 1--       9.011                 -1.953                 -3.185
 Raman3 Fr= 1--      19.773                 18.604                  3.178
 ROA3   Fr= 1--     391.949                -69.880                -31.455
 CID3   Fr= 1--      19.822                 -3.756                 -9.899
 RC180  Fr= 1--       0.707                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.04  -0.00   0.02    -0.03   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.02     0.03   0.00  -0.01
     3   7    -0.00   0.00   0.00     0.05  -0.00  -0.03    -0.04  -0.00   0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.05   0.03  -0.01    -0.03  -0.02   0.01    -0.04  -0.02   0.00
     6   6    -0.03  -0.02   0.01     0.01   0.02  -0.01     0.02   0.02   0.00
     7   6     0.01   0.04   0.01    -0.00  -0.03   0.00    -0.00  -0.03  -0.00
     8   7    -0.00  -0.05  -0.01    -0.00   0.04   0.00    -0.00   0.04   0.00
     9   7    -0.00  -0.00  -0.00    -0.05  -0.00  -0.03     0.04  -0.00   0.02
    10   7     0.05  -0.03   0.01     0.03  -0.02   0.01     0.04  -0.02   0.00
    11   6    -0.03   0.02  -0.01    -0.01   0.02  -0.01    -0.02   0.02   0.00
    12   6     0.01  -0.04  -0.01     0.00  -0.03   0.00     0.00  -0.03  -0.00
    13   7    -0.00   0.05   0.01     0.00   0.04   0.00     0.00   0.04   0.00
    14   1    -0.00   0.03   0.00    -0.02  -0.03  -0.01     0.01   0.05   0.04
    15   1    -0.08   0.08   0.08     0.07  -0.02  -0.01     0.08  -0.10  -0.08
    16   1    -0.03  -0.02   0.01     0.03  -0.00  -0.01    -0.03  -0.02   0.04
    17   1    -0.09   0.06   0.04     0.07  -0.01  -0.06     0.09  -0.03  -0.06
    18   1    -0.03   0.02  -0.01    -0.03  -0.00  -0.01     0.03  -0.02   0.04
    19   1    -0.09  -0.06  -0.04    -0.07  -0.01  -0.06    -0.10  -0.03  -0.06
    20   1    -0.00  -0.03  -0.00     0.02  -0.03  -0.01    -0.01   0.05   0.04
    21   1    -0.07  -0.08  -0.08    -0.08  -0.02  -0.01    -0.08  -0.10  -0.08
    22   1    -0.26   0.36   0.01    -0.15   0.22  -0.02    -0.19   0.27   0.02
    23   1    -0.17   0.08  -0.06    -0.11   0.06  -0.02    -0.15   0.08  -0.06
    24   1     0.18  -0.38  -0.00     0.13  -0.28   0.03     0.12  -0.26   0.02
    25   1    -0.02  -0.18  -0.04    -0.02  -0.11  -0.04    -0.01  -0.16  -0.05
    26   1     0.02  -0.00   0.02     0.18  -0.01   0.14    -0.14   0.00  -0.10
    27   1     0.02  -0.01   0.00     0.45   0.04   0.03    -0.39  -0.02  -0.04
    28   1     0.18   0.39   0.00    -0.12  -0.27   0.03    -0.12  -0.26   0.02
    29   1    -0.02   0.18   0.04     0.02  -0.10  -0.04     0.01  -0.16  -0.05
    30   1    -0.26  -0.37  -0.01     0.14   0.21  -0.02     0.19   0.26   0.02
    31   1    -0.18  -0.08   0.06     0.11   0.06  -0.02     0.15   0.08  -0.05
    32   1     0.01   0.00  -0.01    -0.01   0.01   0.01     0.03  -0.00  -0.02
    33   1    -0.01   0.00   0.02    -0.02  -0.02   0.14     0.01   0.02  -0.10
    34   1    -0.01  -0.00  -0.03     0.02  -0.02   0.14    -0.01   0.02  -0.10
    35   1     0.01  -0.00   0.01     0.01   0.01   0.01    -0.03  -0.00  -0.02
    36   1     0.02   0.01  -0.00    -0.45   0.04   0.03     0.39  -0.01  -0.04
    37   1     0.03   0.00  -0.02    -0.18  -0.01   0.14     0.14   0.00  -0.10
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2763              1292.8694              1298.2383
 Red. masses --      1.3918                 1.3945                 1.3675
 Frc consts  --      1.3694                 1.3734                 1.3580
 IR Inten    --      1.0600                 0.2030                 0.5098
 RamAct Fr= 1--      0.2642                 5.5622                 3.8048
  Dep-P Fr= 1--      0.7434                 0.0995                 0.4710
  Dep-U Fr= 1--      0.8528                 0.1810                 0.6403
 Alpha2 Fr= 1--      0.0000                 0.0975                 0.0214
 Beta2  Fr= 1--      0.0375                 0.1678                 0.4061
 AlphaG Fr= 1--      0.0000                 0.0212                -0.0371
 Gamma2 Fr= 1--     -0.0122                -0.4889                -0.9210
 Delta2 Fr= 1--     -0.1152                -0.7510                 0.5067
 Raman1 Fr= 1--       1.057                 22.249                 15.219
 ROA1   Fr= 1--      -4.858                -70.963                -72.204
 CID1   Fr= 1--      -4.597                 -3.190                 -4.744
 Raman2 Fr= 1--       0.451                  2.014                  4.873
 ROA2   Fr= 1--       0.628                 -5.725                -26.158
 CID2   Fr= 1--       1.395                 -2.843                 -5.368
 Raman3 Fr= 1--       0.901                  4.027                  9.745
 ROA3   Fr= 1--      -4.858                -70.963                -72.204
 CID3   Fr= 1--      -5.390                -17.621                 -7.409
 RC180  Fr= 1--       0.706                 -0.638                  0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.10  -0.04    -0.01   0.05   0.01
     2   6     0.00   0.00  -0.00     0.01   0.10   0.04    -0.01  -0.05  -0.01
     3   7    -0.01  -0.00   0.00    -0.02  -0.03  -0.02     0.02   0.02   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.02   0.02    -0.01   0.01  -0.01    -0.01   0.02  -0.01
     6   6    -0.05   0.03  -0.06     0.03  -0.02   0.03     0.04  -0.03   0.05
     7   6     0.05  -0.02   0.06    -0.03   0.01  -0.03    -0.05   0.03  -0.05
     8   7    -0.03  -0.01  -0.02     0.01   0.00   0.01     0.02  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.02   0.03   0.02     0.02  -0.02  -0.01
    10   7    -0.02  -0.02   0.02    -0.01  -0.01   0.01    -0.01  -0.02   0.01
    11   6     0.05   0.03  -0.06     0.02   0.02  -0.03     0.04   0.03  -0.05
    12   6    -0.05  -0.02   0.06    -0.03  -0.01   0.03    -0.05  -0.03   0.05
    13   7     0.03  -0.01  -0.02     0.01  -0.00  -0.01     0.02   0.00  -0.01
    14   1    -0.23   0.09   0.14     0.10  -0.04  -0.06     0.20  -0.12  -0.14
    15   1     0.08   0.01   0.02    -0.05   0.01  -0.00    -0.09   0.04   0.02
    16   1     0.18  -0.15  -0.13    -0.08   0.09   0.06    -0.19   0.12   0.13
    17   1    -0.04   0.09  -0.02     0.02  -0.03  -0.01     0.06  -0.06  -0.00
    18   1    -0.18  -0.16  -0.13    -0.08  -0.08  -0.06    -0.19  -0.12  -0.13
    19   1     0.04   0.09  -0.02     0.02   0.02   0.01     0.06   0.06   0.00
    20   1     0.23   0.09   0.14     0.10   0.04   0.05     0.20   0.12   0.15
    21   1    -0.08   0.01   0.02    -0.04  -0.01   0.00    -0.09  -0.04  -0.02
    22   1     0.13  -0.16  -0.10     0.05  -0.06  -0.05     0.09  -0.11  -0.09
    23   1    -0.15   0.28   0.07    -0.07   0.13   0.03    -0.13   0.24   0.05
    24   1     0.05  -0.14   0.11     0.02  -0.06   0.05     0.06  -0.16   0.10
    25   1    -0.17   0.30  -0.07    -0.07   0.13  -0.03    -0.14   0.23  -0.06
    26   1    -0.02   0.00  -0.02     0.39   0.08  -0.04    -0.23  -0.05   0.02
    27   1    -0.05  -0.00  -0.01    -0.23  -0.14   0.01     0.13   0.08  -0.01
    28   1    -0.05  -0.14   0.11     0.02   0.07  -0.06     0.06   0.16  -0.10
    29   1     0.17   0.29  -0.07    -0.08  -0.14   0.04    -0.14  -0.22   0.06
    30   1    -0.12  -0.16  -0.10     0.05   0.07   0.05     0.09   0.11   0.09
    31   1     0.15   0.28   0.07    -0.07  -0.14  -0.03    -0.13  -0.24  -0.05
    32   1     0.00  -0.00  -0.00    -0.03   0.06  -0.36     0.05  -0.01   0.13
    33   1     0.01   0.01  -0.01     0.04   0.04   0.11    -0.08  -0.06   0.02
    34   1    -0.00   0.01  -0.01     0.04  -0.04  -0.11    -0.08   0.06  -0.02
    35   1    -0.00  -0.00   0.01    -0.03  -0.06   0.36     0.05   0.01  -0.13
    36   1     0.05   0.00  -0.01    -0.23   0.14  -0.02     0.13  -0.08   0.01
    37   1     0.03  -0.00  -0.01     0.39  -0.08   0.05    -0.23   0.05  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.0734              1332.4054              1341.4749
 Red. masses --      1.1833                 1.1875                 1.1773
 Frc consts  --      1.2352                 1.2421                 1.2482
 IR Inten    --     26.0411                24.1301                 0.1840
 RamAct Fr= 1--      0.7115                 3.3596                 2.3430
  Dep-P Fr= 1--      0.7498                 0.7319                 0.2752
  Dep-U Fr= 1--      0.8570                 0.8452                 0.4316
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0259
 Beta2  Fr= 1--      0.1016                 0.4733                 0.1685
 AlphaG Fr= 1--      0.0000                 0.0114                -0.0199
 Gamma2 Fr= 1--      3.3986                -0.0520                -0.6456
 Delta2 Fr= 1--      1.7594                -0.9892                -0.0541
 Raman1 Fr= 1--       2.846                 13.438                  9.372
 ROA1   Fr= 1--     382.565                -36.647                -63.713
 CID1   Fr= 1--     134.423                 -2.727                 -6.798
 Raman2 Fr= 1--       1.220                  5.679                  2.022
 ROA2   Fr= 1--      67.491                  6.665                -15.062
 CID2   Fr= 1--      55.341                  1.174                 -7.448
 Raman3 Fr= 1--       2.439                 11.358                  4.045
 ROA3   Fr= 1--     382.565                -36.647                -63.713
 CID3   Fr= 1--     156.847                 -3.226                -15.752
 RC180  Fr= 1--       0.714                  0.690                 -0.137
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.01   0.05    -0.01  -0.00  -0.02
     2   6     0.00   0.00   0.00     0.01   0.01  -0.05    -0.01   0.00   0.02
     3   7    -0.00  -0.00   0.00    -0.05  -0.03   0.02     0.02   0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.02  -0.03   0.03    -0.01  -0.02   0.02    -0.02  -0.03   0.03
     6   6     0.03  -0.01  -0.02     0.02  -0.01  -0.01     0.02  -0.00  -0.02
     7   6    -0.02   0.02   0.02    -0.02   0.01   0.00    -0.01   0.02   0.02
     8   7    -0.02  -0.04  -0.03    -0.00  -0.02  -0.01    -0.02  -0.03  -0.02
     9   7     0.01  -0.00   0.00    -0.05   0.03  -0.02     0.02  -0.01   0.01
    10   7     0.02  -0.03   0.03    -0.01   0.01  -0.02    -0.02   0.03  -0.03
    11   6    -0.03  -0.01  -0.02     0.02   0.01   0.01     0.02   0.00   0.02
    12   6     0.02   0.02   0.02    -0.02  -0.01  -0.00    -0.01  -0.02  -0.02
    13   7     0.02  -0.04  -0.03    -0.00   0.01   0.01    -0.02   0.03   0.02
    14   1     0.08  -0.20  -0.16     0.04  -0.12  -0.09     0.03  -0.17  -0.12
    15   1    -0.00   0.24   0.20    -0.02   0.15   0.12     0.00   0.21   0.17
    16   1    -0.22  -0.05   0.17    -0.10   0.01   0.08    -0.16  -0.06   0.13
    17   1     0.24   0.13  -0.23     0.08   0.05  -0.10     0.19   0.11  -0.18
    18   1     0.22  -0.04   0.17    -0.09  -0.02  -0.08    -0.16   0.06  -0.13
    19   1    -0.24   0.12  -0.23     0.08  -0.05   0.09     0.19  -0.11   0.18
    20   1    -0.08  -0.20  -0.16     0.04   0.12   0.09     0.03   0.17   0.12
    21   1     0.00   0.24   0.21    -0.02  -0.14  -0.11     0.00  -0.21  -0.17
    22   1    -0.06   0.10  -0.03     0.03  -0.06   0.03     0.06  -0.10   0.05
    23   1    -0.13   0.13   0.01     0.07  -0.06  -0.00     0.17  -0.17  -0.01
    24   1    -0.07   0.12   0.04     0.03  -0.07   0.00     0.05  -0.09  -0.04
    25   1    -0.04   0.20  -0.02    -0.01  -0.05  -0.01     0.07  -0.23   0.02
    26   1    -0.03  -0.00  -0.01     0.25   0.05   0.07    -0.13  -0.02  -0.04
    27   1    -0.02   0.01  -0.00     0.15  -0.04   0.02    -0.12   0.02  -0.02
    28   1     0.06   0.12   0.04     0.03   0.07   0.00     0.05   0.09   0.04
    29   1     0.04   0.20  -0.02    -0.01   0.06   0.01     0.07   0.23  -0.02
    30   1     0.06   0.10  -0.03     0.04   0.06  -0.03     0.06   0.10  -0.05
    31   1     0.13   0.12   0.01     0.07   0.06   0.00     0.17   0.16   0.01
    32   1     0.01   0.01  -0.02    -0.18  -0.11   0.26     0.11   0.07  -0.16
    33   1    -0.02  -0.02   0.01     0.27   0.20  -0.25    -0.12  -0.08   0.11
    34   1     0.02  -0.01   0.01     0.27  -0.20   0.25    -0.12   0.08  -0.11
    35   1    -0.01   0.01  -0.01    -0.18   0.11  -0.26     0.11  -0.07   0.16
    36   1     0.02   0.01  -0.00     0.15   0.04  -0.02    -0.12  -0.02   0.02
    37   1     0.02  -0.00  -0.01     0.25  -0.04  -0.07    -0.13   0.02   0.04
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.7371              1348.0922              1351.6983
 Red. masses --      1.1923                 1.1884                 1.1988
 Frc consts  --      1.2760                 1.2725                 1.2905
 IR Inten    --      3.5102                12.8988                 6.4387
 RamAct Fr= 1--      7.5910                12.5957                 4.7433
  Dep-P Fr= 1--      0.7500                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      1.0844                 1.7988                 0.6776
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--      7.6202               -10.3898                -2.1729
 Delta2 Fr= 1--      1.3416                -0.9424                 0.3432
 Raman1 Fr= 1--      30.364                 50.383                 18.973
 ROA1   Fr= 1--     774.473              -1027.579               -197.613
 CID1   Fr= 1--      25.506                -20.395                -10.415
 Raman2 Fr= 1--      13.013                 21.586                  8.131
 ROA2   Fr= 1--     172.153               -241.816                -54.894
 CID2   Fr= 1--      13.229                -11.203                 -6.751
 Raman3 Fr= 1--      26.026                 43.171                 16.262
 ROA3   Fr= 1--     774.473              -1027.579               -197.613
 CID3   Fr= 1--      29.758                -23.802                -12.151
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
     2   6    -0.02   0.06  -0.01    -0.00  -0.00   0.00     0.01  -0.01   0.00
     3   7    -0.04  -0.05  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.03   0.03    -0.01  -0.03   0.03
     6   6    -0.00  -0.00  -0.01    -0.02  -0.01  -0.04    -0.01  -0.02  -0.04
     7   6     0.00   0.00  -0.01     0.00   0.02  -0.04     0.01   0.02  -0.04
     8   7     0.00   0.01   0.01     0.02   0.01   0.03     0.02   0.02   0.03
     9   7     0.04  -0.05  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    10   7    -0.00  -0.00   0.00     0.00   0.03  -0.03     0.01  -0.03   0.03
    11   6     0.00  -0.00  -0.00    -0.02   0.01   0.04     0.01  -0.02  -0.04
    12   6    -0.00   0.00  -0.01     0.00  -0.02   0.04    -0.01   0.02  -0.04
    13   7    -0.00   0.01   0.01     0.02  -0.01  -0.03    -0.02   0.02   0.03
    14   1    -0.01  -0.02  -0.01    -0.05  -0.15  -0.09    -0.05  -0.14  -0.08
    15   1    -0.01   0.04   0.03    -0.06   0.27   0.21    -0.06   0.30   0.23
    16   1     0.02   0.00  -0.02     0.12   0.12  -0.11     0.07   0.10  -0.07
    17   1    -0.05  -0.03   0.07    -0.27  -0.09   0.22    -0.26  -0.07   0.21
    18   1    -0.02   0.00  -0.02     0.12  -0.12   0.11    -0.08   0.11  -0.07
    19   1     0.05  -0.03   0.06    -0.27   0.09  -0.23     0.26  -0.08   0.21
    20   1     0.01  -0.02  -0.01    -0.05   0.15   0.09     0.05  -0.14  -0.08
    21   1     0.01   0.03   0.02    -0.06  -0.27  -0.21     0.06   0.30   0.23
    22   1     0.01  -0.01  -0.01    -0.04   0.04   0.08     0.01   0.00  -0.08
    23   1    -0.01   0.02   0.01     0.15  -0.22  -0.05    -0.18   0.23   0.04
    24   1     0.00   0.00  -0.01     0.00  -0.03   0.08     0.00   0.02  -0.08
    25   1     0.01  -0.04   0.00    -0.11   0.24  -0.05     0.10  -0.24   0.05
    26   1    -0.37  -0.08  -0.01    -0.02  -0.00  -0.01     0.05   0.01  -0.01
    27   1     0.05   0.11  -0.02    -0.03   0.00  -0.00    -0.06  -0.02  -0.00
    28   1    -0.00   0.00  -0.02     0.00   0.03  -0.08    -0.00   0.02  -0.07
    29   1    -0.01  -0.05   0.01    -0.10  -0.24   0.05    -0.09  -0.23   0.04
    30   1    -0.01  -0.01  -0.01    -0.04  -0.04  -0.08    -0.01   0.00  -0.08
    31   1     0.02   0.03   0.01     0.15   0.22   0.05     0.18   0.23   0.04
    32   1     0.23   0.11  -0.09     0.02   0.01  -0.03    -0.04  -0.02   0.01
    33   1    -0.29  -0.19   0.35    -0.01  -0.01   0.01     0.05   0.03  -0.07
    34   1     0.29  -0.19   0.36    -0.02   0.01  -0.02    -0.05   0.03  -0.07
    35   1    -0.23   0.10  -0.09     0.02  -0.02   0.03     0.04  -0.02   0.01
    36   1    -0.05   0.11  -0.02    -0.02  -0.01   0.00     0.06  -0.02  -0.00
    37   1     0.37  -0.08  -0.01    -0.03   0.01   0.01    -0.05   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.4549              1405.0486              1407.6406
 Red. masses --      1.2682                 1.2707                 1.2598
 Frc consts  --      1.4739                 1.4780                 1.4707
 IR Inten    --      0.8605                 0.1242                 2.3214
 RamAct Fr= 1--      1.2373                 2.2344                 0.7026
  Dep-P Fr= 1--      0.7500                 0.7497                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1768                 0.3191                 0.1004
 AlphaG Fr= 1--     -0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--     -1.7838                 3.1390                 0.8785
 Delta2 Fr= 1--     -0.7013                 1.5298                 0.4622
 Raman1 Fr= 1--       4.949                  8.938                  2.810
 ROA1   Fr= 1--    -193.686                350.300                 99.131
 CID1   Fr= 1--     -39.134                 39.194                 35.272
 Raman2 Fr= 1--       2.121                  3.830                  1.204
 ROA2   Fr= 1--     -37.201                 63.099                 17.387
 CID2   Fr= 1--     -17.539                 16.477                 14.436
 Raman3 Fr= 1--       4.242                  7.659                  2.409
 ROA3   Fr= 1--    -193.686                350.300                 99.131
 CID3   Fr= 1--     -45.658                 45.736                 41.151
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.08     0.00   0.00  -0.00    -0.01  -0.00   0.02
     2   6    -0.06   0.00  -0.08     0.00  -0.00   0.00     0.01  -0.00   0.02
     3   7    -0.01   0.02   0.03    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.02   0.00  -0.01    -0.02   0.01  -0.01
     6   6     0.01  -0.02  -0.01     0.03  -0.06  -0.02     0.03  -0.06  -0.02
     7   6     0.01   0.00  -0.00     0.07   0.01  -0.02     0.07   0.01  -0.02
     8   7    -0.00   0.00  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.01
     9   7     0.01   0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   7     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.02   0.01  -0.01
    11   6    -0.01  -0.02  -0.01     0.03   0.06   0.02    -0.02  -0.06  -0.02
    12   6    -0.01   0.00  -0.00     0.07  -0.01   0.02    -0.07   0.01  -0.02
    13   7     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.01
    14   1    -0.01   0.08   0.06    -0.04   0.29   0.22    -0.03   0.29   0.22
    15   1    -0.02   0.05   0.04    -0.10   0.21   0.15    -0.09   0.18   0.14
    16   1    -0.05  -0.01   0.05    -0.27  -0.11   0.23    -0.26  -0.12   0.23
    17   1    -0.05   0.01   0.02    -0.23  -0.01   0.16    -0.21  -0.01   0.14
    18   1     0.05  -0.01   0.05    -0.27   0.11  -0.23     0.26  -0.11   0.23
    19   1     0.05   0.01   0.02    -0.23   0.01  -0.16     0.20  -0.01   0.14
    20   1     0.01   0.09   0.06    -0.04  -0.29  -0.22     0.03   0.29   0.22
    21   1     0.02   0.05   0.04    -0.10  -0.21  -0.16     0.09   0.18   0.14
    22   1    -0.02   0.03   0.01     0.07  -0.10  -0.04    -0.06   0.08   0.06
    23   1     0.02  -0.04  -0.01    -0.05   0.11   0.04     0.07  -0.13  -0.04
    24   1     0.01  -0.02   0.01    -0.05   0.10  -0.05     0.04  -0.09   0.06
    25   1    -0.01   0.03  -0.01     0.07  -0.09   0.04    -0.08   0.13  -0.04
    26   1     0.17   0.05  -0.04     0.00   0.00   0.00    -0.03  -0.01   0.01
    27   1    -0.15  -0.07   0.01     0.00  -0.00   0.00     0.07   0.02   0.00
    28   1    -0.01  -0.02   0.01    -0.05  -0.10   0.05    -0.04  -0.09   0.06
    29   1     0.01   0.03  -0.01     0.07   0.09  -0.04     0.08   0.13  -0.04
    30   1     0.02   0.03   0.01     0.07   0.10   0.04     0.06   0.08   0.06
    31   1    -0.01  -0.04  -0.01    -0.05  -0.11  -0.04    -0.07  -0.13  -0.04
    32   1    -0.32  -0.21   0.33    -0.01  -0.00   0.01     0.08   0.05  -0.07
    33   1    -0.18  -0.12   0.32    -0.00  -0.01   0.00     0.04   0.03  -0.07
    34   1     0.18  -0.12   0.32    -0.00   0.00   0.00    -0.04   0.03  -0.07
    35   1     0.32  -0.21   0.33    -0.01   0.00  -0.01    -0.08   0.05  -0.07
    36   1     0.15  -0.06   0.01     0.00   0.00  -0.00    -0.07   0.02   0.00
    37   1    -0.17   0.05  -0.04     0.00  -0.00  -0.00     0.03  -0.01   0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.6752              1443.8012              1445.7408
 Red. masses --      1.4425                 1.4527                 1.4508
 Frc consts  --      1.7689                 1.7842                 1.7866
 IR Inten    --      3.1811                 2.6232                 0.9977
 RamAct Fr= 1--      0.3262                 0.6144                 0.5365
  Dep-P Fr= 1--      0.7499                 0.7422                 0.6975
  Dep-U Fr= 1--      0.8570                 0.8520                 0.8218
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0005
 Beta2  Fr= 1--      0.0466                 0.0872                 0.0735
 AlphaG Fr= 1--      0.0000                -0.0059                 0.0135
 Gamma2 Fr= 1--     -1.4262                 0.7199                -0.5237
 Delta2 Fr= 1--     -0.9382                 0.5545                -0.5040
 Raman1 Fr= 1--       1.305                  2.458                  2.146
 ROA1   Fr= 1--    -166.935                 86.855                -66.401
 CID1   Fr= 1--    -127.954                 35.340                -30.942
 Raman2 Fr= 1--       0.559                  1.047                  0.882
 ROA2   Fr= 1--     -26.722                 12.842                 -8.536
 CID2   Fr= 1--     -47.798                 12.266                 -9.680
 Raman3 Fr= 1--       1.118                  2.094                  1.764
 ROA3   Fr= 1--    -166.935                 86.855                -66.401
 CID3   Fr= 1--    -149.296                 41.479                -37.650
 RC180  Fr= 1--       0.714                  0.704                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.03   0.03  -0.13    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01     0.03  -0.03   0.13    -0.00  -0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.03   0.01   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.00
     6   6     0.05  -0.06  -0.05    -0.00   0.00  -0.00     0.06  -0.06  -0.05
     7   6    -0.08   0.02   0.05     0.00  -0.00   0.00    -0.08   0.02   0.05
     8   7     0.02  -0.02   0.00    -0.00  -0.00  -0.00     0.02  -0.02   0.00
     9   7     0.00  -0.00  -0.00     0.01   0.01   0.04     0.00  -0.00  -0.00
    10   7     0.03   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.00
    11   6    -0.05  -0.06  -0.05    -0.00  -0.00   0.00     0.06   0.06   0.05
    12   6     0.08   0.02   0.05    -0.00   0.00  -0.00    -0.08  -0.02  -0.05
    13   7    -0.02  -0.02   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    14   1    -0.09   0.29   0.27     0.00  -0.02  -0.01    -0.11   0.27   0.28
    15   1    -0.05   0.17   0.09     0.00   0.00   0.00    -0.08   0.17   0.07
    16   1     0.29   0.04  -0.28    -0.00   0.02   0.01     0.29   0.04  -0.29
    17   1     0.18   0.02  -0.08    -0.01   0.02  -0.02     0.19   0.02  -0.08
    18   1    -0.29   0.04  -0.29     0.00  -0.02  -0.01     0.29  -0.04   0.28
    19   1    -0.18   0.02  -0.08    -0.01  -0.02   0.02     0.19  -0.02   0.08
    20   1     0.09   0.29   0.27    -0.00   0.01   0.01    -0.11  -0.26  -0.28
    21   1     0.05   0.17   0.09     0.00  -0.01  -0.00    -0.08  -0.17  -0.07
    22   1    -0.07   0.13   0.02     0.00  -0.00   0.01     0.08  -0.13  -0.03
    23   1    -0.00  -0.11  -0.06     0.02  -0.02  -0.00    -0.01   0.09   0.05
    24   1    -0.07   0.13  -0.02     0.01  -0.02  -0.01     0.07  -0.13   0.03
    25   1     0.08  -0.05   0.06    -0.01  -0.01  -0.01    -0.08   0.05  -0.05
    26   1    -0.02  -0.00   0.00     0.11   0.05  -0.09    -0.02  -0.00   0.00
    27   1     0.01  -0.00   0.00    -0.22  -0.03   0.00     0.00  -0.00  -0.00
    28   1     0.07   0.12  -0.02     0.01   0.02   0.01     0.07   0.13  -0.03
    29   1    -0.08  -0.05   0.06    -0.00   0.01   0.01    -0.08  -0.05   0.05
    30   1     0.07   0.12   0.01    -0.00  -0.00  -0.01     0.08   0.13   0.03
    31   1     0.00  -0.11  -0.06     0.02   0.02   0.00    -0.01  -0.09  -0.05
    32   1     0.00   0.01  -0.02    -0.27  -0.25   0.43     0.02  -0.01   0.02
    33   1    -0.00  -0.01  -0.02    -0.17  -0.05   0.23    -0.00   0.01   0.02
    34   1     0.00  -0.01  -0.02    -0.16   0.04  -0.23    -0.00  -0.01  -0.02
    35   1    -0.01   0.02  -0.03    -0.27   0.25  -0.43     0.02   0.01  -0.02
    36   1    -0.01   0.00   0.00    -0.22   0.03  -0.00     0.00   0.00   0.00
    37   1     0.02  -0.00   0.00     0.11  -0.05   0.09    -0.02   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8309              1502.9443              1503.6487
 Red. masses --      1.0811                 1.0804                 1.0791
 Frc consts  --      1.4385                 1.4379                 1.4374
 IR Inten    --     27.1698                27.3436                22.4296
 RamAct Fr= 1--      5.3590                 6.5539                 3.1203
  Dep-P Fr= 1--      0.4355                 0.6024                 0.7483
  Dep-U Fr= 1--      0.6068                 0.7518                 0.8560
 Alpha2 Fr= 1--      0.0348                 0.0179                 0.0001
 Beta2  Fr= 1--      0.5419                 0.8212                 0.4452
 AlphaG Fr= 1--      0.0517                 0.0247                 0.0008
 Gamma2 Fr= 1--     -2.0817                -2.0520                -1.2496
 Delta2 Fr= 1--     -0.9092                -0.5778                -0.9293
 Raman1 Fr= 1--      21.436                 26.215                 12.481
 ROA1   Fr= 1--    -228.941               -215.483               -149.698
 CID1   Fr= 1--     -10.680                 -8.220                -11.994
 Raman2 Fr= 1--       6.503                  9.855                  5.342
 ROA2   Fr= 1--     -42.688                -44.626                -22.556
 CID2   Fr= 1--      -6.564                 -4.528                 -4.222
 Raman3 Fr= 1--      13.007                 19.710                 10.684
 ROA3   Fr= 1--    -228.941               -215.483               -149.698
 CID3   Fr= 1--     -17.602                -10.933                -14.012
 RC180  Fr= 1--       0.214                  0.504                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.04     0.01   0.01   0.02    -0.01  -0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.05   0.03   0.05    -0.00   0.00   0.00
     3   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.01   0.03  -0.00    -0.00   0.02  -0.00     0.02  -0.05   0.01
     8   7     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
     9   7    -0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.02  -0.00  -0.00
    12   6    -0.00  -0.02   0.00    -0.01  -0.02   0.00    -0.01  -0.05   0.01
    13   7     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    14   1     0.08   0.05  -0.06     0.07   0.04  -0.05    -0.11  -0.05   0.09
    15   1     0.10  -0.01   0.07     0.08  -0.02   0.05    -0.12   0.02  -0.08
    16   1    -0.05  -0.23  -0.10    -0.05  -0.17  -0.06     0.11   0.45   0.19
    17   1     0.13  -0.16   0.15     0.09  -0.12   0.11    -0.26   0.32  -0.29
    18   1    -0.05   0.18   0.07    -0.04   0.17   0.08    -0.10   0.39   0.16
    19   1     0.10   0.13  -0.12     0.10   0.12  -0.11     0.23   0.28  -0.26
    20   1     0.08  -0.05   0.06     0.07  -0.05   0.05     0.11  -0.06   0.09
    21   1     0.09   0.02  -0.06     0.08   0.01  -0.06     0.12   0.02  -0.08
    22   1    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.02   0.01   0.03
    23   1     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    24   1    -0.01   0.04  -0.01     0.00  -0.01   0.00    -0.01   0.01  -0.00
    25   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.02   0.00  -0.01     0.00   0.00  -0.01    -0.03  -0.00  -0.01
    27   1     0.01   0.01  -0.00     0.01   0.03  -0.00     0.00   0.02  -0.00
    28   1    -0.00  -0.00  -0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    30   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.03
    31   1     0.01   0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    32   1     0.52  -0.17   0.23    -0.13   0.07  -0.11     0.07  -0.01   0.01
    33   1     0.17   0.49   0.32    -0.06  -0.15  -0.10     0.02   0.05   0.03
    34   1    -0.01  -0.00  -0.00     0.18  -0.49  -0.32     0.01  -0.03  -0.02
    35   1     0.03  -0.02   0.04     0.52   0.18  -0.24     0.02   0.01  -0.02
    36   1     0.02  -0.03   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    37   1     0.00   0.00   0.02     0.02  -0.00   0.01     0.03  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.9733              1504.7246              1505.2980
 Red. masses --      1.0797                 1.0786                 1.0844
 Frc consts  --      1.4389                 1.4389                 1.4477
 IR Inten    --      6.6527                11.7075                 1.3624
 RamAct Fr= 1--     12.1185                 9.0589                 1.2392
  Dep-P Fr= 1--      0.7024                 0.3260                 0.7465
  Dep-U Fr= 1--      0.8252                 0.4917                 0.8548
 Alpha2 Fr= 1--      0.0100                 0.0858                 0.0001
 Beta2  Fr= 1--      1.6666                 0.7423                 0.1765
 AlphaG Fr= 1--      0.0452                -0.1604                -0.0001
 Gamma2 Fr= 1--      4.9699                -1.7106                 2.5109
 Delta2 Fr= 1--      1.0007                -0.2480                 0.9944
 Raman1 Fr= 1--      48.474                 36.236                  4.957
 ROA1   Fr= 1--     509.133               -172.157                272.863
 CID1   Fr= 1--      10.503                 -4.751                 55.050
 Raman2 Fr= 1--      20.000                  8.908                  2.119
 ROA2   Fr= 1--     111.272                -39.071                 52.305
 CID2   Fr= 1--       5.564                 -4.386                 24.690
 Raman3 Fr= 1--      39.999                 17.816                  4.237
 ROA3   Fr= 1--     509.133               -172.157                272.863
 CID3   Fr= 1--      12.729                 -9.663                 64.399
 RC180  Fr= 1--       0.650                 -0.017                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.03   0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
     6   6     0.02   0.00   0.00    -0.04  -0.02  -0.01    -0.06  -0.01  -0.01
     7   6     0.01  -0.03   0.00    -0.00  -0.02   0.01     0.00  -0.02   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.00    -0.04   0.02   0.01     0.05  -0.01  -0.01
    12   6     0.02   0.04  -0.00     0.00   0.03  -0.01    -0.00  -0.02   0.00
    13   7    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.12  -0.09   0.08     0.27   0.29  -0.15     0.32   0.32  -0.19
    15   1    -0.14   0.01  -0.10     0.34  -0.05   0.24     0.40  -0.07   0.28
    16   1     0.05   0.24   0.11     0.09   0.20   0.05     0.07   0.13   0.02
    17   1    -0.15   0.17  -0.15    -0.11   0.13  -0.13    -0.08   0.08  -0.08
    18   1     0.07  -0.32  -0.15     0.10  -0.24  -0.06    -0.07   0.14   0.03
    19   1    -0.19  -0.23   0.21    -0.13  -0.16   0.15     0.08   0.09  -0.08
    20   1    -0.15   0.12  -0.11     0.28  -0.31   0.15    -0.29   0.30  -0.18
    21   1    -0.18  -0.02   0.13     0.36   0.05  -0.25    -0.37  -0.06   0.26
    22   1    -0.00   0.01  -0.01     0.03  -0.03  -0.04     0.01  -0.01   0.01
    23   1    -0.01   0.00  -0.00    -0.03  -0.01  -0.01     0.01   0.00   0.00
    24   1    -0.00   0.02  -0.01     0.00  -0.02   0.03     0.00   0.02  -0.03
    25   1     0.00  -0.00  -0.00     0.01   0.02   0.01    -0.02  -0.01  -0.01
    26   1    -0.02  -0.00  -0.03    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    27   1     0.02   0.04  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    28   1    -0.00  -0.02   0.01     0.00   0.02  -0.03    -0.00   0.02  -0.04
    29   1     0.00   0.00   0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.01
    30   1    -0.00  -0.01   0.01     0.03   0.03   0.03    -0.01  -0.01   0.01
    31   1    -0.00  -0.00   0.00    -0.02   0.01   0.01    -0.01   0.00   0.00
    32   1     0.29  -0.06   0.08     0.03  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.08   0.24   0.16     0.01   0.02   0.01     0.00  -0.00  -0.00
    34   1     0.10  -0.28  -0.18     0.01  -0.02  -0.01    -0.00   0.00   0.00
    35   1     0.33   0.08  -0.10     0.03   0.00  -0.00    -0.01   0.00  -0.00
    36   1     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00   0.01  -0.00
    37   1    -0.02   0.00   0.03    -0.02   0.00   0.01     0.01  -0.00  -0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1641.1493              1654.4291              1656.5217
 Red. masses --      1.0766                 1.0781                 1.0815
 Frc consts  --      1.7084                 1.7386                 1.7485
 IR Inten    --    167.4825                 9.3212                16.6771
 RamAct Fr= 1--      0.0070                 5.4077                 4.2311
  Dep-P Fr= 1--      0.7244                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8402                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0010                 0.7725                 0.6044
 AlphaG Fr= 1--      0.0000                -0.0006                -0.0000
 Gamma2 Fr= 1--     -0.0315                 0.1179                 3.1509
 Delta2 Fr= 1--     -0.0313                 2.8157                 3.6061
 Raman1 Fr= 1--       0.028                 21.631                 16.924
 ROA1   Fr= 1--      -4.025                101.418                417.888
 CID1   Fr= 1--    -143.265                  4.689                 24.691
 Raman2 Fr= 1--       0.012                  9.270                  7.253
 ROA2   Fr= 1--      -0.505                -19.696                 46.774
 CID2   Fr= 1--     -42.785                 -2.125                  6.449
 Raman3 Fr= 1--       0.024                 18.539                 14.506
 ROA3   Fr= 1--      -4.025                101.418                417.888
 CID3   Fr= 1--    -170.520                  5.470                 28.808
 RC180  Fr= 1--       0.680                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.01  -0.02   0.02    -0.01   0.03  -0.02     0.01  -0.01   0.01
     4  45     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.01   0.02    -0.00   0.01   0.02     0.00  -0.02  -0.04
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     8   7    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     9   7    -0.01  -0.02   0.02    -0.01  -0.03   0.02    -0.01  -0.01   0.01
    10   7     0.00   0.01   0.02    -0.00  -0.01  -0.02    -0.00  -0.02  -0.04
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
    13   7     0.01  -0.00   0.02    -0.01   0.00  -0.02     0.01  -0.00   0.02
    14   1    -0.01  -0.01   0.01     0.00   0.01   0.01    -0.01  -0.00   0.01
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.00    -0.01   0.03   0.00
    16   1    -0.01  -0.01   0.01     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    17   1     0.01   0.01  -0.01     0.01   0.01  -0.00     0.03  -0.01   0.01
    18   1     0.01  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02  -0.02
    19   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.03  -0.01   0.01
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01     0.01  -0.00   0.01
    21   1     0.02  -0.01  -0.01    -0.00   0.01   0.00     0.01   0.03   0.00
    22   1     0.08   0.02  -0.24    -0.08  -0.01   0.25    -0.14  -0.01   0.39
    23   1    -0.15  -0.18  -0.13     0.14   0.17   0.13     0.24   0.27   0.20
    24   1     0.06   0.06  -0.26    -0.04  -0.06   0.20     0.04   0.05  -0.18
    25   1    -0.24  -0.05  -0.14     0.18   0.04   0.11    -0.15  -0.05  -0.09
    26   1     0.10   0.05  -0.31     0.10   0.06  -0.35     0.06   0.03  -0.16
    27   1     0.03   0.32  -0.03     0.04   0.38  -0.03     0.02   0.17  -0.01
    28   1    -0.06   0.06  -0.26    -0.04   0.06  -0.20    -0.04   0.05  -0.18
    29   1     0.24  -0.04  -0.14     0.19  -0.04  -0.11     0.15  -0.05  -0.09
    30   1    -0.08   0.02  -0.24    -0.08   0.01  -0.23     0.14  -0.01   0.41
    31   1     0.15  -0.18  -0.13     0.13  -0.16  -0.12    -0.25   0.28   0.21
    32   1    -0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.01  -0.00   0.00
    33   1     0.02   0.01  -0.00     0.01  -0.01  -0.03     0.01  -0.00   0.00
    34   1    -0.02   0.01  -0.00     0.01   0.01   0.03    -0.01  -0.00  -0.00
    35   1     0.01  -0.00   0.00    -0.02  -0.01   0.01     0.01  -0.00   0.00
    36   1    -0.03   0.32  -0.03     0.04  -0.37   0.03    -0.03   0.19  -0.02
    37   1    -0.10   0.05  -0.30     0.10  -0.05   0.34    -0.07   0.03  -0.18
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.8911              1668.1543              1671.0253
 Red. masses --      1.0776                 1.0775                 1.0750
 Frc consts  --      1.7493                 1.7666                 1.7685
 IR Inten    --      0.9984                 2.2504                39.5001
 RamAct Fr= 1--     11.0935                 3.8700                 1.5859
  Dep-P Fr= 1--      0.7500                 0.7491                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8566                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      1.5848                 0.5525                 0.2266
 AlphaG Fr= 1--      0.0004                -0.0006                -0.0000
 Gamma2 Fr= 1--    -13.3482                 5.7424                 3.0139
 Delta2 Fr= 1--     -5.5363                 1.3481                 0.3909
 Raman1 Fr= 1--      44.374                 15.480                  6.343
 ROA1   Fr= 1--   -1458.590                594.406                301.844
 CID1   Fr= 1--     -32.871                 38.399                 47.583
 Raman2 Fr= 1--      19.017                  6.630                  2.719
 ROA2   Fr= 1--    -276.067                127.032                 69.207
 CID2   Fr= 1--     -14.517                 19.161                 25.457
 Raman3 Fr= 1--      38.034                 13.260                  5.437
 ROA3   Fr= 1--   -1458.590                594.406                301.844
 CID3   Fr= 1--     -38.349                 44.828                 55.514
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.00  -0.01   0.00    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.01  -0.02     0.00  -0.02  -0.03     0.00  -0.00  -0.00
     6   6     0.01  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     7   6    -0.00   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.01
     8   7    -0.02  -0.01   0.04     0.01   0.00  -0.01     0.02   0.00  -0.03
     9   7     0.00   0.01  -0.00    -0.01  -0.02   0.02    -0.01  -0.02   0.02
    10   7     0.00   0.01   0.02     0.00   0.02   0.03    -0.00  -0.00  -0.00
    11   6     0.01   0.00   0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    12   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
    13   7    -0.02   0.01  -0.04     0.01  -0.00   0.01    -0.02   0.00  -0.03
    14   1    -0.02  -0.02   0.02    -0.01  -0.02  -0.00     0.01   0.01  -0.01
    15   1    -0.03   0.02  -0.01    -0.01   0.02   0.00     0.02  -0.01   0.01
    16   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.01   0.01  -0.00
    17   1     0.03   0.00   0.00     0.01  -0.02   0.01    -0.02  -0.01   0.01
    18   1    -0.01   0.02   0.01    -0.00   0.01   0.01    -0.01   0.01  -0.00
    19   1     0.03  -0.00  -0.00     0.01   0.02  -0.01     0.02  -0.01   0.01
    20   1    -0.02   0.02  -0.02    -0.01   0.02   0.00    -0.01   0.00  -0.01
    21   1    -0.03  -0.02   0.01    -0.01  -0.02  -0.00    -0.02  -0.01   0.01
    22   1     0.07   0.02  -0.24     0.11   0.01  -0.33     0.00  -0.01   0.02
    23   1    -0.14  -0.16  -0.12    -0.20  -0.23  -0.17     0.02   0.02   0.02
    24   1    -0.09  -0.10   0.40     0.03   0.02  -0.14    -0.08  -0.09   0.35
    25   1     0.36   0.07   0.21    -0.12  -0.03  -0.07     0.31   0.06   0.19
    26   1    -0.01  -0.01   0.08     0.09   0.05  -0.30     0.09   0.05  -0.31
    27   1    -0.01  -0.08   0.01     0.04   0.32  -0.03     0.03   0.33  -0.03
    28   1    -0.09   0.09  -0.40     0.04  -0.02   0.15     0.08  -0.09   0.35
    29   1     0.36  -0.07  -0.21    -0.13   0.03   0.08    -0.31   0.06   0.18
    30   1     0.07  -0.02   0.23     0.11  -0.01   0.34    -0.00  -0.01   0.01
    31   1    -0.14   0.16   0.12    -0.20   0.23   0.17    -0.01   0.01   0.01
    32   1     0.01  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.01   0.01
    33   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.02   0.01   0.00
    34   1    -0.00  -0.01  -0.01     0.01   0.02   0.03    -0.02   0.01   0.00
    35   1     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.00  -0.01   0.01
    36   1    -0.01   0.07  -0.01     0.04  -0.31   0.03    -0.03   0.33  -0.03
    37   1    -0.01   0.01  -0.08     0.09  -0.05   0.29    -0.09   0.05  -0.32
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.1632              3069.2449              3071.5029
 Red. masses --      1.0634                 1.0634                 1.0631
 Frc consts  --      5.9019                 5.9023                 5.9089
 IR Inten    --      3.9519                 7.1829                 5.7899
 RamAct Fr= 1--    334.3873                96.6097               194.5257
  Dep-P Fr= 1--      0.0217                 0.0905                 0.0395
  Dep-U Fr= 1--      0.0425                 0.1660                 0.0760
 Alpha2 Fr= 1--      7.0621                 1.7311                 3.9395
 Beta2  Fr= 1--      2.3703                 2.6728                 2.4643
 AlphaG Fr= 1--     -1.0326                -0.2556                 0.2336
 Gamma2 Fr= 1--    -20.6898                13.2905                 7.4458
 Delta2 Fr= 1--    -12.3476                10.6662                 6.2330
 Raman1 Fr= 1--    1337.549                386.439                778.103
 ROA1   Fr= 1--   -2381.349               1617.210                914.257
 CID1   Fr= 1--      -1.780                  4.185                  1.175
 Raman2 Fr= 1--      28.443                 32.074                 29.571
 ROA2   Fr= 1--    -397.775                233.643                128.836
 CID2   Fr= 1--     -13.985                  7.284                  4.357
 Raman3 Fr= 1--      56.886                 64.148                 59.142
 ROA3   Fr= 1--   -2381.349               1617.210                914.257
 CID3   Fr= 1--     -41.862                 25.211                 15.459
 RC180  Fr= 1--      -0.915                 -0.668                 -0.848
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.03   0.03
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.04  -0.00   0.01     0.01  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03   0.05  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.04  -0.00   0.01     0.00  -0.00  -0.00
    12   6    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.00  -0.00   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.31   0.16  -0.32    -0.10   0.05  -0.10    -0.01   0.01  -0.02
    15   1    -0.12  -0.16   0.17    -0.04  -0.05   0.05    -0.01  -0.01   0.01
    16   1     0.42  -0.24   0.44     0.14  -0.08   0.15     0.00  -0.00   0.01
    17   1    -0.13  -0.30  -0.26    -0.05  -0.11  -0.09    -0.00  -0.00  -0.00
    18   1     0.14   0.08  -0.15    -0.41  -0.24   0.44     0.00   0.00  -0.00
    19   1    -0.04   0.10   0.08     0.13  -0.30  -0.26    -0.00   0.00   0.00
    20   1    -0.11  -0.06   0.11     0.31   0.16  -0.32    -0.01  -0.01   0.02
    21   1    -0.04   0.06  -0.06     0.12  -0.17   0.17    -0.01   0.01  -0.01
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    28   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.01  -0.52  -0.27
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.29   0.21  -0.11
    34   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.30  -0.22   0.11
    35   1     0.00  -0.02  -0.01     0.00   0.01   0.00    -0.01   0.53   0.27
    36   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3075.0342              3075.3234              3076.4682
 Red. masses --      1.0604                 1.0605                 1.0604
 Frc consts  --      5.9075                 5.9094                 5.9133
 IR Inten    --      0.2153                17.0196                 9.0921
 RamAct Fr= 1--     71.5456                18.9344                43.3159
  Dep-P Fr= 1--      0.5316                 0.7453                 0.7496
  Dep-U Fr= 1--      0.6942                 0.8541                 0.8569
 Alpha2 Fr= 1--      0.3022                 0.0015                 0.0003
 Beta2  Fr= 1--      8.2779                 2.6952                 6.1859
 AlphaG Fr= 1--     -0.0832                -0.0003                 0.0000
 Gamma2 Fr= 1--      7.6541                 9.1700                -6.5943
 Delta2 Fr= 1--      6.1519                 4.5925                -5.2086
 Raman1 Fr= 1--     286.182                 75.737                173.264
 ROA1   Fr= 1--     931.651               1027.277               -799.727
 CID1   Fr= 1--       3.255                 13.564                 -4.616
 Raman2 Fr= 1--      99.335                 32.343                 74.231
 ROA2   Fr= 1--     134.482                183.340               -116.594
 CID2   Fr= 1--       1.354                  5.669                 -1.571
 Raman3 Fr= 1--     198.669                 64.685                148.461
 ROA3   Fr= 1--     931.651               1027.277               -799.727
 CID3   Fr= 1--       4.689                 15.881                 -5.387
 RC180  Fr= 1--       0.388                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.04   0.01   0.00    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.03   0.00    -0.01   0.03   0.00    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.04  -0.01  -0.00     0.04  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.01   0.03  -0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.27   0.14  -0.27     0.28  -0.15   0.29     0.00  -0.00   0.00
    15   1    -0.17  -0.24   0.24     0.19   0.26  -0.26     0.00   0.00  -0.00
    16   1    -0.17   0.10  -0.18     0.18  -0.10   0.18     0.00  -0.00   0.00
    17   1     0.09   0.21   0.17    -0.10  -0.22  -0.18    -0.00  -0.00  -0.00
    18   1    -0.19  -0.11   0.20    -0.17  -0.10   0.18    -0.00  -0.00   0.00
    19   1     0.10  -0.22  -0.19     0.09  -0.21  -0.18     0.00  -0.00  -0.00
    20   1    -0.28  -0.15   0.28    -0.27  -0.14   0.27    -0.00  -0.00   0.00
    21   1    -0.18   0.25  -0.25    -0.18   0.24  -0.24    -0.00   0.00  -0.00
    22   1     0.01   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    28   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00   0.01   0.01    -0.00  -0.01  -0.00     0.00   0.44   0.23
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00     0.40  -0.28   0.15
    34   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.39  -0.28   0.15
    35   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.43   0.22
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.4483              3115.5192              3116.3548
 Red. masses --      1.1072                 1.1072                 1.1077
 Frc consts  --      6.3317                 6.3320                 6.3384
 IR Inten    --     12.4873                 4.6093                 6.7539
 RamAct Fr= 1--    126.4126               154.3793               137.7611
  Dep-P Fr= 1--      0.7484                 0.2289                 0.3409
  Dep-U Fr= 1--      0.8561                 0.3725                 0.5085
 Alpha2 Fr= 1--      0.0035                 1.9399                 1.2453
 Beta2  Fr= 1--     18.0366                 9.5836                11.6746
 AlphaG Fr= 1--      0.0005                 0.3255                -0.5750
 Gamma2 Fr= 1--    -52.7678                 1.4536                31.1058
 Delta2 Fr= 1--    -40.0762                 4.0170                10.2996
 Raman1 Fr= 1--     505.650                617.517                551.045
 ROA1   Fr= 1--   -6348.149                268.088               3315.743
 CID1   Fr= 1--     -12.554                  0.434                  6.017
 Raman2 Fr= 1--     216.439                115.003                140.095
 ROA2   Fr= 1--    -945.818                  2.749                664.142
 CID2   Fr= 1--      -4.370                  0.024                  4.741
 Raman3 Fr= 1--     432.878                230.006                280.190
 ROA3   Fr= 1--   -6348.149                268.088               3315.743
 CID3   Fr= 1--     -14.665                  1.166                 11.834
 RC180  Fr= 1--       0.712                 -0.255                  0.017
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.05  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.05   0.00
     3   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.04     0.00   0.03  -0.03     0.00   0.00  -0.00
     7   6    -0.03  -0.02  -0.04     0.02   0.02   0.04     0.00   0.00   0.00
     8   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.03   0.03     0.00  -0.03   0.04     0.00  -0.00   0.00
    12   6     0.02  -0.02  -0.04     0.03  -0.02  -0.04     0.00  -0.00  -0.00
    13   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.17   0.08  -0.16     0.15  -0.08   0.15     0.01  -0.01   0.01
    15   1     0.20   0.26  -0.26    -0.18  -0.24   0.24    -0.02  -0.02   0.02
    16   1     0.18  -0.11   0.19    -0.16   0.10  -0.17    -0.01   0.01  -0.02
    17   1     0.14   0.35   0.28    -0.13  -0.32  -0.26    -0.01  -0.03  -0.02
    18   1    -0.16  -0.10   0.17    -0.18  -0.11   0.18    -0.01  -0.01   0.01
    19   1    -0.13   0.32   0.26    -0.14   0.34   0.28    -0.01   0.03   0.02
    20   1     0.15   0.08  -0.15     0.17   0.09  -0.17     0.01   0.01  -0.01
    21   1    -0.19   0.24  -0.24    -0.20   0.26  -0.26    -0.02   0.02  -0.02
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.02   0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   1    -0.01   0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.01  -0.33  -0.17
    33   1     0.00  -0.00   0.00    -0.04   0.03  -0.02     0.47  -0.31   0.19
    34   1     0.00   0.00  -0.00    -0.04  -0.03   0.02     0.47   0.32  -0.19
    35   1     0.00   0.00   0.00     0.00  -0.03  -0.02    -0.01   0.33   0.18
    36   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.7816              3125.7933              3127.1169
 Red. masses --      1.1101                 1.1102                 1.1100
 Frc consts  --      6.3905                 6.3908                 6.3954
 IR Inten    --      3.6084                 5.2895                 3.1284
 RamAct Fr= 1--     28.3810                69.0845                49.6511
  Dep-P Fr= 1--      0.7500                 0.7488                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8564                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0000
 Beta2  Fr= 1--      4.0543                 9.8604                 7.0930
 AlphaG Fr= 1--      0.0001                 0.0022                -0.0000
 Gamma2 Fr= 1--     19.0285                38.9946               -31.4183
 Delta2 Fr= 1--      4.4129                 5.8443                -3.9722
 Raman1 Fr= 1--     113.524                276.338                198.605
 ROA1   Fr= 1--    1967.951               3930.500              -3143.266
 CID1   Fr= 1--      17.335                 14.224                -15.827
 Raman2 Fr= 1--      48.652                118.325                 85.116
 ROA2   Fr= 1--     421.382                889.116               -722.261
 CID2   Fr= 1--       8.661                  7.514                 -8.486
 Raman3 Fr= 1--      97.304                236.649                170.232
 ROA3   Fr= 1--    1967.951               3930.500              -3143.266
 CID3   Fr= 1--      20.225                 16.609                -18.465
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.06  -0.01
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.01
     3   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.03    -0.01   0.04  -0.05    -0.00   0.00  -0.00
     7   6     0.02   0.01   0.03    -0.03  -0.01  -0.04    -0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.01  -0.04   0.05    -0.00  -0.02   0.03     0.00   0.00  -0.00
    12   6    -0.03   0.01   0.04    -0.02   0.01   0.03     0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.19   0.10  -0.19     0.30  -0.15   0.29     0.01  -0.01   0.01
    15   1     0.14   0.18  -0.18    -0.21  -0.27   0.27    -0.01  -0.01   0.01
    16   1    -0.16   0.10  -0.17     0.25  -0.15   0.26     0.01  -0.01   0.01
    17   1    -0.07  -0.19  -0.15     0.12   0.29   0.24     0.00   0.01   0.01
    18   1     0.25   0.15  -0.26     0.17   0.10  -0.17    -0.01  -0.01   0.01
    19   1     0.12  -0.29  -0.24     0.08  -0.19  -0.16    -0.00   0.01   0.01
    20   1     0.29   0.15  -0.29     0.19   0.10  -0.19    -0.01  -0.01   0.01
    21   1    -0.21   0.27  -0.27    -0.14   0.18  -0.18     0.01  -0.01   0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.01  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.01
    27   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.01   0.00   0.01    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    32   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.01   0.45   0.24
    33   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.38   0.26  -0.16
    34   1     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.38   0.26  -0.15
    35   1    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.01   0.45   0.24
    36   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.8252              3431.9629              3432.0150
 Red. masses --      1.0525                 1.0525                 1.0524
 Frc consts  --      7.3031                 7.3042                 7.3035
 IR Inten    --     51.1390               108.4899                92.3411
 RamAct Fr= 1--      5.4772                 1.7344                 2.3670
  Dep-P Fr= 1--      0.7170                 0.7225                 0.7266
  Dep-U Fr= 1--      0.8352                 0.8389                 0.8416
 Alpha2 Fr= 1--      0.0031                 0.0008                 0.0010
 Beta2  Fr= 1--      0.7624                 0.2425                 0.3320
 AlphaG Fr= 1--      0.0064                 0.0127                 0.0158
 Gamma2 Fr= 1--     16.1403                 4.5548                 6.6049
 Delta2 Fr= 1--     -0.1396                -0.3582                -0.4911
 Raman1 Fr= 1--      21.909                  6.938                  9.468
 ROA1   Fr= 1--    1545.005                425.803                618.351
 CID1   Fr= 1--      70.520                 61.376                 65.310
 Raman2 Fr= 1--       9.149                  2.910                  3.984
 ROA2   Fr= 1--     388.485                112.182                162.446
 CID2   Fr= 1--      42.463                 38.552                 40.772
 Raman3 Fr= 1--      18.297                  5.820                  7.969
 ROA3   Fr= 1--    1545.005                425.803                618.351
 CID3   Fr= 1--      84.438                 73.165                 77.599
 RC180  Fr= 1--       0.670                  0.678                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   7     0.00  -0.02   0.02     0.00  -0.02   0.02    -0.00   0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.02    -0.01   0.00   0.03     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7     0.01  -0.00  -0.03    -0.01   0.00   0.02    -0.00   0.00   0.02
     9   7    -0.00  -0.02   0.01     0.00   0.01  -0.01    -0.00  -0.03   0.03
    10   7     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.01   0.00   0.03     0.00   0.00   0.01
    14   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    21   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    22   1    -0.07  -0.06  -0.02     0.02   0.01   0.00    -0.31  -0.24  -0.09
    23   1     0.05   0.04  -0.10    -0.01  -0.01   0.02     0.21   0.17  -0.42
    24   1     0.27   0.11   0.07    -0.27  -0.11  -0.07    -0.14  -0.06  -0.04
    25   1    -0.19  -0.06   0.30     0.19   0.06  -0.31     0.09   0.03  -0.15
    26   1    -0.03   0.26   0.05     0.01  -0.09  -0.02    -0.05   0.46   0.09
    27   1     0.04  -0.04  -0.25    -0.01   0.02   0.09     0.06  -0.07  -0.44
    28   1    -0.27   0.11   0.07     0.23  -0.09  -0.06     0.16  -0.06  -0.04
    29   1     0.19  -0.06   0.30    -0.16   0.05  -0.25    -0.11   0.04  -0.18
    30   1     0.14  -0.11  -0.04     0.27  -0.21  -0.07    -0.04   0.03   0.01
    31   1    -0.09   0.08  -0.19    -0.18   0.14  -0.36     0.03  -0.02   0.05
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    36   1    -0.05  -0.06  -0.38    -0.05  -0.06  -0.36     0.01   0.02   0.09
    37   1     0.04   0.40   0.07     0.04   0.38   0.07    -0.01  -0.09  -0.02
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.0245              3433.1473              3434.1356
 Red. masses --      1.0529                 1.0527                 1.0528
 Frc consts  --      7.3112                 7.3105                 7.3150
 IR Inten    --      4.8974                 1.7810                 0.0964
 RamAct Fr= 1--     20.7447                13.5266               431.9375
  Dep-P Fr= 1--      0.6533                 0.7179                 0.0130
  Dep-U Fr= 1--      0.7903                 0.8358                 0.0257
 Alpha2 Fr= 1--      0.0360                 0.0075                 9.3109
 Beta2  Fr= 1--      2.7324                 1.8842                 1.8497
 AlphaG Fr= 1--     -0.0601                -0.0044                -0.1941
 Gamma2 Fr= 1--     -5.7618                -5.1280               -13.3426
 Delta2 Fr= 1--     -1.3915                 0.8669                -3.1699
 Raman1 Fr= 1--      82.979                 54.107               1727.750
 ROA1   Fr= 1--    -597.661               -464.547              -1382.331
 CID1   Fr= 1--      -7.203                 -8.586                 -0.800
 Raman2 Fr= 1--      32.789                 22.610                 22.196
 ROA2   Fr= 1--    -127.151               -130.007               -294.864
 CID2   Fr= 1--      -3.878                 -5.750                -13.285
 Raman3 Fr= 1--      65.577                 45.220                 44.392
 ROA3   Fr= 1--    -597.661               -464.547              -1382.331
 CID3   Fr= 1--      -9.114                -10.273                -31.139
 RC180  Fr= 1--       0.581                  0.672                 -0.949
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00   0.01  -0.01     0.00  -0.02   0.02    -0.00   0.02  -0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.02     0.01  -0.00  -0.03    -0.00   0.00   0.02
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   7    -0.01   0.00   0.03    -0.00   0.00   0.01     0.00  -0.00  -0.02
     9   7    -0.00  -0.01   0.01    -0.00  -0.02   0.02    -0.00  -0.02   0.02
    10   7    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03    -0.00  -0.00  -0.03
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.00   0.00   0.00     0.00   0.00   0.02
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1     0.11   0.09   0.03     0.27   0.21   0.07     0.21   0.17   0.06
    23   1    -0.07  -0.06   0.15    -0.18  -0.15   0.37    -0.14  -0.12   0.29
    24   1     0.34   0.14   0.09    -0.05  -0.02  -0.01    -0.21  -0.09  -0.05
    25   1    -0.24  -0.08   0.39     0.03   0.01  -0.05     0.14   0.05  -0.23
    26   1    -0.01   0.13   0.02    -0.03   0.30   0.06    -0.03   0.31   0.06
    27   1     0.02  -0.02  -0.12     0.04  -0.05  -0.30     0.04  -0.05  -0.29
    28   1     0.34  -0.14  -0.08     0.13  -0.05  -0.03    -0.21   0.09   0.05
    29   1    -0.24   0.08  -0.38    -0.09   0.03  -0.14     0.15  -0.05   0.24
    30   1     0.18  -0.14  -0.05    -0.26   0.20   0.07     0.21  -0.16  -0.06
    31   1    -0.12   0.09  -0.24     0.17  -0.14   0.35    -0.14   0.11  -0.28
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.02   0.03   0.17    -0.04  -0.04  -0.26     0.04   0.04   0.27
    37   1    -0.02  -0.18  -0.03     0.03   0.27   0.05    -0.03  -0.29  -0.05
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6467              3480.8920              3482.1400
 Red. masses --      1.0925                 1.0926                 1.0930
 Frc consts  --      7.7981                 7.8001                 7.8081
 IR Inten    --     21.1383                42.2954                22.3241
 RamAct Fr= 1--     24.8029                22.1842                28.7913
  Dep-P Fr= 1--      0.7447                 0.5707                 0.6961
  Dep-U Fr= 1--      0.8537                 0.7267                 0.8208
 Alpha2 Fr= 1--      0.0022                 0.0750                 0.0271
 Beta2  Fr= 1--      3.5289                 2.6869                 3.9389
 AlphaG Fr= 1--      0.0107                 0.3193                -0.1228
 Gamma2 Fr= 1--    -35.4907                36.9882               -27.7310
 Delta2 Fr= 1--    -13.9362                19.4018               -12.3221
 Raman1 Fr= 1--      99.212                 88.737                115.165
 ROA1   Fr= 1--   -3853.062               4171.721              -3056.481
 CID1   Fr= 1--     -38.837                 47.012                -26.540
 Raman2 Fr= 1--      42.346                 32.242                 47.266
 ROA2   Fr= 1--    -740.286                732.501               -566.966
 CID2   Fr= 1--     -17.482                 22.719                -11.995
 Raman3 Fr= 1--      84.693                 64.485                 94.533
 ROA3   Fr= 1--   -3853.062               4171.721              -3056.481
 CID3   Fr= 1--     -45.495                 64.693                -32.333
 RC180  Fr= 1--       0.707                  0.453                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.01  -0.01     0.00   0.01   0.00    -0.01  -0.05  -0.05
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   7     0.04  -0.01   0.01    -0.06   0.02  -0.02    -0.01   0.00  -0.00
     9   7     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.02   0.02
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.06  -0.02   0.02    -0.04  -0.02   0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1    -0.01   0.00  -0.01     0.01  -0.01   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01   0.01  -0.01     0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.04   0.03   0.01    -0.05  -0.04  -0.02     0.21   0.16   0.07
    23   1     0.01   0.01  -0.03    -0.02  -0.01   0.04     0.08   0.07  -0.18
    24   1     0.55   0.23   0.17     0.39   0.16   0.12    -0.02  -0.01  -0.01
    25   1     0.25   0.08  -0.44     0.17   0.06  -0.31    -0.01  -0.00   0.01
    26   1    -0.01   0.11   0.02    -0.00   0.01   0.00     0.02  -0.20  -0.03
    27   1    -0.02   0.01   0.12    -0.00   0.00   0.00     0.03  -0.02  -0.21
    28   1    -0.37   0.15   0.11     0.56  -0.23  -0.17     0.10  -0.04  -0.03
    29   1    -0.17   0.05  -0.30     0.25  -0.08   0.44     0.05  -0.02   0.09
    30   1    -0.05   0.04   0.01    -0.03   0.02   0.01     0.09  -0.07  -0.03
    31   1    -0.02   0.01  -0.04    -0.01   0.01  -0.02     0.04  -0.03   0.08
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    33   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.01
    36   1     0.02   0.01   0.12    -0.01  -0.01  -0.06     0.08   0.07   0.62
    37   1     0.01   0.11   0.02    -0.01  -0.06  -0.01     0.06   0.59   0.08
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.3000              3482.8984              3483.1671
 Red. masses --      1.0929                 1.0927                 1.0924
 Frc consts  --      7.8087                 7.8096                 7.8089
 IR Inten    --     53.8995                33.5367                28.8688
 RamAct Fr= 1--     10.4195                45.7224                21.2272
  Dep-P Fr= 1--      0.7055                 0.7089                 0.7436
  Dep-U Fr= 1--      0.8273                 0.8296                 0.8530
 Alpha2 Fr= 1--      0.0081                 0.0326                 0.0023
 Beta2  Fr= 1--      1.4367                 6.3221                 3.0177
 AlphaG Fr= 1--     -0.0287                 0.2717                 0.0156
 Gamma2 Fr= 1--    -12.8416                54.1697               -22.6887
 Delta2 Fr= 1--     -4.7326                 9.0023                 2.3328
 Raman1 Fr= 1--      41.678                182.890                 84.909
 ROA1   Fr= 1--   -1384.233               5488.362              -2103.463
 CID1   Fr= 1--     -33.212                 30.009                -24.773
 Raman2 Fr= 1--      17.241                 75.865                 36.212
 ROA2   Fr= 1--    -270.337               1228.053               -563.190
 CID2   Fr= 1--     -15.680                 16.187                -15.553
 Raman3 Fr= 1--      34.482                151.730                 72.424
 ROA3   Fr= 1--   -1384.233               5488.362              -2103.463
 CID3   Fr= 1--     -40.144                 36.172                -29.044
 RC180  Fr= 1--       0.655                  0.659                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.01  -0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7     0.02  -0.02   0.01    -0.03   0.02  -0.01    -0.05   0.04  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   7     0.01  -0.05  -0.05     0.00  -0.01  -0.01     0.00  -0.02  -0.02
    10   7    -0.00  -0.00   0.00    -0.05  -0.04   0.02     0.03   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.01  -0.00   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.03   0.02   0.01     0.46   0.35   0.15    -0.31  -0.24  -0.10
    23   1     0.01   0.01  -0.03     0.19   0.16  -0.42    -0.12  -0.10   0.28
    24   1    -0.12  -0.05  -0.04     0.02   0.01   0.01     0.01   0.01   0.00
    25   1    -0.06  -0.02   0.10     0.01   0.00  -0.02     0.01   0.00  -0.01
    26   1    -0.06   0.59   0.08    -0.02   0.17   0.02    -0.02   0.19   0.03
    27   1    -0.08   0.07   0.61    -0.02   0.02   0.17    -0.03   0.02   0.20
    28   1     0.10  -0.04  -0.03     0.03  -0.01  -0.01    -0.01   0.00   0.00
    29   1     0.04  -0.01   0.08     0.01  -0.00   0.02    -0.00   0.00  -0.01
    30   1    -0.20   0.15   0.07     0.29  -0.22  -0.10     0.47  -0.36  -0.16
    31   1    -0.08   0.06  -0.17     0.12  -0.10   0.26     0.19  -0.16   0.43
    32   1     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    36   1     0.03   0.02   0.21    -0.03  -0.02  -0.22     0.02   0.01   0.12
    37   1     0.02   0.20   0.03    -0.02  -0.21  -0.03     0.01   0.11   0.02

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2547.093632591.510643900.78218
           X            1.00000  -0.00006  -0.00000
           Y            0.00006   1.00000   0.00026
           Z            0.00000  -0.00026   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03401     0.03342     0.02220
 Rotational constants (GHZ):           0.70855     0.69641     0.46266
 Zero-point vibrational energy     925914.5 (Joules/Mol)
                                  221.29887 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    125.48   130.13   160.24   204.91   207.06
          (Kelvin)            231.08   308.06   308.85   314.55   356.95
                              422.83   438.84   439.33   467.88   477.79
                              573.96   579.96   582.98   662.93   667.76
                              721.75   772.46   782.07   797.71   983.74
                              994.33  1027.00  1037.28  1086.20  1110.96
                             1246.30  1247.29  1248.02  1250.15  1251.96
                             1260.27  1411.51  1414.26  1414.77  1438.09
                             1441.48  1448.70  1509.25  1509.29  1510.68
                             1603.74  1603.89  1614.80  1682.99  1686.56
                             1708.65  1756.70  1763.73  1790.71  1859.30
                             1860.15  1867.88  1915.12  1917.03  1930.08
                             1939.09  1939.60  1944.79  2020.70  2021.55
                             2025.28  2075.69  2077.31  2080.10  2162.24
                             2162.40  2163.42  2163.88  2164.96  2165.79
                             2361.25  2380.35  2383.37  2388.21  2400.10
                             2404.23  4415.84  4415.96  4419.21  4424.29
                             4424.70  4426.35  4482.44  4482.54  4483.74
                             4497.30  4497.32  4499.22  4937.63  4937.83
                             4937.90  4939.36  4939.53  4940.96  5007.87
                             5008.23  5010.02  5010.25  5011.11  5011.50
 
 Zero-point correction=                           0.352662 (Hartree/Particle)
 Thermal correction to Energy=                    0.367665
 Thermal correction to Enthalpy=                  0.368609
 Thermal correction to Gibbs Free Energy=         0.312257
 Sum of electronic and zero-point Energies=           -681.283147
 Sum of electronic and thermal Energies=              -681.268145
 Sum of electronic and thermal Enthalpies=            -681.267200
 Sum of electronic and thermal Free Energies=         -681.323553
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.713             60.557            118.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.621
 Vibrational            228.936             54.595             44.163
 Vibration     1          0.601              1.958              3.722
 Vibration     2          0.602              1.956              3.650
 Vibration     3          0.607              1.940              3.245
 Vibration     4          0.616              1.911              2.771
 Vibration     5          0.616              1.909              2.751
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.644              1.819              2.008
 Vibration     8          0.645              1.819              2.004
 Vibration     9          0.646              1.813              1.970
 Vibration    10          0.662              1.766              1.744
 Vibration    11          0.689              1.685              1.452
 Vibration    12          0.696              1.664              1.389
 Vibration    13          0.696              1.664              1.387
 Vibration    14          0.709              1.625              1.284
 Vibration    15          0.714              1.611              1.250
 Vibration    16          0.765              1.472              0.967
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.770              1.459              0.944
 Vibration    19          0.819              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.857              1.246              0.654
 Vibration    22          0.892              1.168              0.572
 Vibration    23          0.899              1.154              0.558
 Vibration    24          0.910              1.130              0.535
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.235523-143       -143.627967       -330.715616
 Total V=0       0.384803D+19         18.585239         42.794094
 Vib (Bot)       0.692506-158       -158.159577       -364.175884
 Vib (Bot)    1  0.235862D+01          0.372658          0.858078
 Vib (Bot)    2  0.227316D+01          0.356629          0.821170
 Vib (Bot)    3  0.183848D+01          0.264460          0.608941
 Vib (Bot)    4  0.142675D+01          0.154348          0.355400
 Vib (Bot)    5  0.141137D+01          0.149642          0.344564
 Vib (Bot)    6  0.125849D+01          0.099851          0.229916
 Vib (Bot)    7  0.926090D+00         -0.033347         -0.076784
 Vib (Bot)    8  0.923523D+00         -0.034552         -0.079560
 Vib (Bot)    9  0.905292D+00         -0.043211         -0.099497
 Vib (Bot)   10  0.787388D+00         -0.103811         -0.239034
 Vib (Bot)   11  0.649336D+00         -0.187530         -0.431805
 Vib (Bot)   12  0.621745D+00         -0.206388         -0.475226
 Vib (Bot)   13  0.620925D+00         -0.206961         -0.476545
 Vib (Bot)   14  0.576263D+00         -0.239379         -0.551192
 Vib (Bot)   15  0.561925D+00         -0.250321         -0.576386
 Vib (Bot)   16  0.447149D+00         -0.349548         -0.804863
 Vib (Bot)   17  0.441173D+00         -0.355391         -0.818318
 Vib (Bot)   18  0.438199D+00         -0.358329         -0.825082
 Vib (Bot)   19  0.368912D+00         -0.433077         -0.997197
 Vib (Bot)   20  0.365228D+00         -0.437436         -1.007234
 Vib (Bot)   21  0.327155D+00         -0.485246         -1.117321
 Vib (Bot)   22  0.295965D+00         -0.528759         -1.217513
 Vib (Bot)   23  0.290490D+00         -0.536869         -1.236187
 Vib (Bot)   24  0.281841D+00         -0.549995         -1.266411
 Vib (V=0)       0.113143D+05          4.053629          9.333827
 Vib (V=0)    1  0.291104D+01          0.464048          1.068509
 Vib (V=0)    2  0.282750D+01          0.451402          1.039392
 Vib (V=0)    3  0.240526D+01          0.381162          0.877659
 Vib (V=0)    4  0.201183D+01          0.303591          0.699043
 Vib (V=0)    5  0.199732D+01          0.300448          0.691808
 Vib (V=0)    6  0.185418D+01          0.268152          0.617443
 Vib (V=0)    7  0.155245D+01          0.191016          0.439832
 Vib (V=0)    8  0.155019D+01          0.190384          0.438376
 Vib (V=0)    9  0.153419D+01          0.185880          0.428004
 Vib (V=0)   10  0.143273D+01          0.156164          0.359580
 Vib (V=0)   11  0.131953D+01          0.120421          0.277279
 Vib (V=0)   12  0.129785D+01          0.113225          0.260710
 Vib (V=0)   13  0.129721D+01          0.113011          0.260218
 Vib (V=0)   14  0.126294D+01          0.101383          0.233443
 Vib (V=0)   15  0.125217D+01          0.097663          0.224878
 Vib (V=0)   16  0.117078D+01          0.068474          0.157668
 Vib (V=0)   17  0.116681D+01          0.067000          0.154272
 Vib (V=0)   18  0.116484D+01          0.066268          0.152588
 Vib (V=0)   19  0.112137D+01          0.049748          0.114548
 Vib (V=0)   20  0.111919D+01          0.048902          0.112602
 Vib (V=0)   21  0.109752D+01          0.040413          0.093053
 Vib (V=0)   22  0.108103D+01          0.033838          0.077914
 Vib (V=0)   23  0.107826D+01          0.032723          0.075348
 Vib (V=0)   24  0.107396D+01          0.030990          0.071356
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181644D+07          6.259220         14.412388
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005100   -0.000011887    0.000022263
      2        6           0.000024674   -0.000007295    0.000004029
      3        7          -0.000010636    0.000026720   -0.000042364
      4       45           0.000017130   -0.000084262   -0.000003418
      5        7          -0.000047401    0.000037833    0.000044979
      6        6           0.000006334   -0.000012716   -0.000025163
      7        6           0.000011055   -0.000018920    0.000010921
      8        7           0.000018590   -0.000022431   -0.000027330
      9        7          -0.000056269    0.000014816   -0.000004606
     10        7           0.000012714    0.000017478   -0.000043286
     11        6          -0.000007160    0.000033001    0.000052067
     12        6           0.000029748    0.000022177    0.000032591
     13        7           0.000022636   -0.000005004   -0.000024737
     14        1           0.000003460    0.000013517   -0.000027886
     15        1           0.000004111   -0.000004407    0.000002160
     16        1           0.000000319    0.000024622    0.000018310
     17        1           0.000003082   -0.000001730    0.000000535
     18        1          -0.000009274   -0.000014517   -0.000003400
     19        1          -0.000005202   -0.000001750    0.000001227
     20        1           0.000001694   -0.000015081    0.000022917
     21        1          -0.000005252   -0.000003557    0.000001696
     22        1           0.000008274   -0.000051368    0.000031366
     23        1          -0.000008175   -0.000011945    0.000016758
     24        1          -0.000013145    0.000002613   -0.000005732
     25        1           0.000009650    0.000013497   -0.000007122
     26        1          -0.000014991    0.000011089   -0.000003619
     27        1           0.000005990   -0.000001379    0.000007005
     28        1          -0.000019051   -0.000002055    0.000013357
     29        1           0.000018269   -0.000002927    0.000017093
     30        1           0.000010214    0.000025603   -0.000037802
     31        1          -0.000017459    0.000005819    0.000003228
     32        1          -0.000011035   -0.000007365   -0.000005448
     33        1           0.000001596    0.000005984   -0.000003788
     34        1          -0.000003859    0.000004921   -0.000004174
     35        1          -0.000001167    0.000009343   -0.000000539
     36        1           0.000012377   -0.000003162   -0.000011403
     37        1           0.000003060    0.000014724   -0.000020685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084262 RMS     0.000020496
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154454D+03 -0.147843D-03 -0.194925D-02
      2  -0.147843D-03  0.152996D+03  0.818091D-01
      3  -0.194925D-02  0.818091D-01  0.122213D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.863768D+00 -0.466843D-01  0.259080D-02
      2  -0.210701D-01  0.490432D+01 -0.210515D+01
      3  -0.183184D-01 -0.172886D+01 -0.652351D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.854936D+02 -0.504063D+00  0.182719D-01
      2   0.917822D+02  0.535405D+00  0.119755D-01
      3  -0.628862D+01 -0.313418D-01 -0.302474D-01
      4  -0.523532D+00  0.945711D+02 -0.489103D+01
      5  -0.644889D-01  0.195898D+01 -0.947327D+01
      6  -0.101807D+02 -0.733067D-01 -0.542277D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.342097D+01 -0.384515D+01  0.308013D+01 -0.575388D+01  0.121794D+01
      2  -0.384515D+01  0.736240D+00 -0.414226D+00  0.121794D+01  0.274911D+01
      3   0.308013D+01 -0.414226D+00  0.717041D+00 -0.123025D+01  0.285019D+01
                 6             7             8             9            10 
      1  -0.123025D+01  0.263243D+01 -0.705564D+00  0.996656D+00  0.336409D+01
      2   0.285019D+01 -0.705564D+00  0.222086D+01  0.709388D+00  0.384506D+01
      3   0.626175D+00  0.996656D+00  0.709388D+00 -0.735764D+00 -0.306843D+01
                11            12            13            14            15 
      1   0.384506D+01 -0.306843D+01  0.576041D+01  0.128042D+01 -0.122038D+01
      2   0.790159D+00 -0.403868D+00  0.128042D+01 -0.273616D+01 -0.285444D+01
      3  -0.403868D+00  0.704556D+00 -0.122038D+01 -0.285444D+01 -0.623485D+00
                16            17            18            19            20 
      1  -0.262274D+01 -0.696022D+00  0.989107D+00 -0.746859D+01 -0.437111D+01
      2  -0.696022D+00 -0.222411D+01 -0.704817D+00 -0.437111D+01 -0.124201D+01
      3   0.989107D+00 -0.704817D+00  0.736713D+00  0.460308D+01  0.118190D+01
                21            22            23            24            25 
      1   0.460308D+01 -0.179622D+01 -0.492754D+00  0.177677D+00  0.299315D+01
      2   0.118190D+01 -0.492754D+00  0.165173D+01  0.131950D+01  0.103573D+01
      3  -0.190717D+01  0.177677D+00  0.131950D+01 -0.722264D+00 -0.177404D+01
                26            27            28            29            30 
      1   0.103573D+01 -0.177404D+01  0.139438D+01  0.621056D-02  0.785176D-02
      2   0.171376D+01 -0.929721D+00  0.621056D-02 -0.156180D+01 -0.158744D+01
      3  -0.929721D+00 -0.169863D+01  0.785176D-02 -0.158744D+01  0.204148D+00
                31            32            33            34            35 
      1   0.294776D-02 -0.159514D+01  0.178095D+01  0.122731D-01 -0.105108D+00
      2  -0.159514D+01 -0.973029D-02 -0.918844D-03 -0.105108D+00  0.126631D-01
      3   0.178095D+01 -0.918844D-03  0.348001D-03  0.153749D+00  0.627638D-04
                36            37            38            39            40 
      1   0.153749D+00  0.441532D+01  0.351284D+01 -0.162400D+01  0.537078D+01
      2   0.627638D-04  0.351284D+01  0.106751D+01 -0.288409D+01  0.281910D+01
      3   0.318952D-02 -0.162400D+01 -0.288409D+01  0.174231D+01 -0.343708D+01
                41            42            43            44            45 
      1   0.281910D+01 -0.343708D+01 -0.136689D+01 -0.192889D+01  0.223652D+01
      2   0.249709D+01 -0.242471D+01 -0.192889D+01 -0.144270D+01 -0.204428D+00
      3  -0.242471D+01  0.398225D+00  0.223652D+01 -0.204428D+00  0.660100D+00
                46            47            48            49            50 
      1  -0.252445D+01 -0.959263D+00 -0.392455D+00 -0.183604D+01 -0.183221D+01
      2  -0.959263D+00 -0.803133D+00  0.313493D+01 -0.183221D+01 -0.916892D+00
      3  -0.392455D+00  0.313493D+01 -0.176092D+01  0.311943D+01  0.249717D+01
                51            52            53            54            55 
      1   0.311943D+01  0.125822D+00  0.448615D+01 -0.272711D+01  0.612542D+00
      2   0.249717D+01  0.448615D+01  0.327471D+01 -0.757423D+00 -0.610359D+00
      3  -0.126943D+00 -0.272711D+01 -0.757423D+00  0.329124D+00  0.102123D+01
                56            57            58            59            60 
      1  -0.610359D+00  0.102123D+01 -0.199548D+00 -0.229045D+00 -0.280620D+01
      2  -0.145977D+01 -0.273140D+01 -0.229045D+00 -0.444469D+01 -0.308210D+01
      3  -0.273140D+01  0.891102D+00 -0.280620D+01 -0.308210D+01 -0.137179D+01
                61            62            63            64            65 
      1   0.154401D+01 -0.348903D+01  0.844126D+00  0.122588D+01  0.420135D-01
      2  -0.348903D+01 -0.474150D+01 -0.245291D+01  0.420135D-01  0.298040D+01
      3   0.844126D+00 -0.245291D+01 -0.184085D+00 -0.647579D+00  0.215079D+01
                66            67            68            69            70 
      1  -0.647579D+00 -0.530655D+00  0.522049D+00  0.162795D+01 -0.412872D+00
      2   0.215079D+01  0.522049D+00  0.962189D+01  0.442761D+01  0.105576D+01
      3  -0.607422D+00  0.162795D+01  0.442761D+01  0.147014D+01 -0.131069D+01
                71            72            73            74            75 
      1   0.105576D+01 -0.131069D+01 -0.750090D+01  0.435832D+01 -0.460838D+01
      2   0.302021D+01  0.172405D+01  0.435832D+01 -0.120310D+01  0.117996D+01
      3   0.172405D+01 -0.647362D+00 -0.460838D+01  0.117996D+01 -0.192351D+01
                76            77            78            79            80 
      1   0.177566D+01 -0.463114D+00  0.169473D+00 -0.300531D+01  0.104375D+01
      2  -0.463114D+00 -0.165590D+01 -0.132375D+01  0.104375D+01 -0.171903D+01
      3   0.169473D+00 -0.132375D+01  0.705969D+00 -0.179162D+01  0.917073D+00
                81            82            83            84            85 
      1  -0.179162D+01  0.445055D+01 -0.350592D+01  0.163706D+01 -0.536890D+01
      2   0.917073D+00 -0.350592D+01  0.106244D+01 -0.289988D+01  0.280971D+01
      3   0.169686D+01  0.163706D+01 -0.289988D+01  0.173754D+01 -0.345437D+01
                86            87            88            89            90 
      1   0.280971D+01 -0.345437D+01  0.136550D+01 -0.194284D+01  0.223251D+01
      2  -0.247224D+01  0.239100D+01 -0.194284D+01  0.141464D+01  0.216262D+00
      3   0.239100D+01 -0.389689D+00  0.223251D+01  0.216262D+00 -0.651144D+00
                91            92            93            94            95 
      1  -0.254390D+01  0.961325D+00  0.363906D+00  0.184112D+01 -0.184396D+01
      2   0.961325D+00 -0.834908D+00  0.316250D+01 -0.184396D+01  0.936776D+00
      3   0.363906D+00  0.316250D+01 -0.175492D+01  0.314116D+01 -0.248078D+01
                96            97            98            99           100 
      1   0.314116D+01 -0.158066D+00  0.450421D+01 -0.271760D+01  0.607518D+00
      2  -0.248078D+01  0.450421D+01 -0.324315D+01  0.744059D+00  0.624842D+00
      3   0.119682D+00 -0.271760D+01  0.744059D+00 -0.336139D+00 -0.991937D+00
               101           102           103           104           105 
      1   0.624842D+00 -0.991937D+00  0.203555D+00 -0.227263D+00 -0.282439D+01
      2  -0.146224D+01 -0.275335D+01 -0.227263D+00  0.440131D+01  0.304798D+01
      3  -0.275335D+01  0.872214D+00 -0.282439D+01  0.304798D+01  0.138146D+01
               106           107           108           109           110 
      1  -0.151188D+01 -0.351767D+01  0.818926D+00  0.122844D+01 -0.490510D-01
      2  -0.351767D+01  0.470730D+01  0.247071D+01 -0.490510D-01  0.301247D+01
      3   0.818926D+00  0.247071D+01  0.193797D+00  0.629180D+00  0.217048D+01
               111           112           113           114           115 
      1   0.629180D+00  0.526790D+00  0.556014D+00  0.164464D+01  0.404433D+00
      2   0.217048D+01  0.556014D+00 -0.958485D+01 -0.440629D+01  0.106736D+01
      3  -0.595542D+00  0.164464D+01 -0.440629D+01 -0.147763D+01 -0.129900D+01
               116           117           118           119           120 
      1   0.106736D+01 -0.129900D+01  0.492668D+01  0.178242D+00  0.151277D+01
      2  -0.302041D+01 -0.174042D+01  0.178242D+00  0.127693D+01 -0.274014D+00
      3  -0.174042D+01  0.648380D+00  0.151277D+01 -0.274014D+00  0.141834D+01
               121           122           123           124           125 
      1  -0.819101D+00  0.837025D+00 -0.557659D+00  0.263722D+01 -0.469105D+00
      2   0.837025D+00 -0.855497D+00  0.324592D+00 -0.469105D+00  0.803889D+00
      3  -0.557659D+00  0.324592D+00 -0.407979D+00  0.195163D+01  0.244238D-01
               126           127           128           129           130 
      1   0.195163D+01  0.424532D+01  0.274810D+01 -0.148982D+01  0.288036D+01
      2   0.244238D-01  0.274810D+01  0.247790D+01 -0.136407D+01  0.304952D+01
      3   0.206777D+01 -0.148982D+01 -0.136407D+01  0.138847D+01 -0.144915D+01
               131           132           133           134           135 
      1   0.304952D+01 -0.144915D+01 -0.264191D+01 -0.268630D+01  0.240902D+01
      2   0.529122D+01 -0.195196D+01 -0.268630D+01 -0.300804D+01  0.233057D+01
      3  -0.195196D+01  0.156751D+01  0.240902D+01  0.233057D+01 -0.268650D+01
               136           137           138           139           140 
      1  -0.246956D+01  0.103622D+01 -0.106540D+01  0.917637D+00 -0.110937D+01
      2   0.103622D+01 -0.220915D+01  0.852860D+00 -0.110937D+01  0.339630D+01
      3  -0.106540D+01  0.852860D+00 -0.114528D+01  0.555374D+00 -0.896537D+00
               141           142           143           144           145 
      1   0.555374D+00 -0.176686D+01  0.980914D+00 -0.102367D+01  0.146251D+01
      2  -0.896537D+00  0.980914D+00 -0.179432D+01  0.167190D+01  0.193704D+01
      3   0.978416D+00 -0.102367D+01  0.167190D+01 -0.218647D+01  0.547254D+00
               146           147           148           149           150 
      1   0.193704D+01  0.547254D+00  0.151722D+01  0.187405D+01  0.819382D+00
      2   0.222985D+01  0.893882D+00  0.187405D+01  0.879977D+01  0.273737D+01
      3   0.893882D+00  0.605154D+00  0.819382D+00  0.273737D+01  0.191843D+01
               151           152           153           154           155 
      1   0.524438D+00  0.143721D+01  0.741031D+00 -0.244663D+01 -0.104562D+01
      2   0.143721D+01  0.494049D+01  0.309631D+01 -0.104562D+01 -0.220475D+01
      3   0.741031D+00  0.309631D+01  0.244757D+01  0.105150D+01  0.858767D+00
               156           157           158           159           160 
      1   0.105150D+01 -0.929354D+00 -0.110201D+01  0.559501D+00  0.175061D+01
      2   0.858767D+00 -0.110201D+01 -0.343263D+01  0.899521D+00  0.986653D+00
      3  -0.113601D+01  0.559501D+00  0.899521D+00 -0.986418D+00 -0.101012D+01
               161           162           163           164           165 
      1   0.986653D+00 -0.101012D+01  0.148741D+01 -0.194889D+01 -0.559580D+00
      2   0.180291D+01 -0.167935D+01 -0.194889D+01  0.225368D+01  0.908257D+00
      3  -0.167935D+01  0.217714D+01 -0.559580D+00  0.908257D+00  0.619371D+00
               166           167           168           169           170 
      1  -0.152522D+01  0.189131D+01  0.830134D+00 -0.540736D+00  0.145886D+01
      2   0.189131D+01 -0.874466D+01 -0.273182D+01  0.145886D+01 -0.493447D+01
      3   0.830134D+00 -0.273182D+01 -0.192005D+01  0.758867D+00 -0.310140D+01
               171           172           173           174           175 
      1   0.758867D+00  0.492997D+01 -0.166972D+00 -0.150537D+01  0.830473D+00
      2  -0.310140D+01 -0.166972D+00  0.127523D+01 -0.280542D+00  0.838759D+00
      3  -0.246185D+01 -0.150537D+01 -0.280542D+00  0.141330D+01 -0.563132D+00
               176           177           178           179           180 
      1   0.838759D+00 -0.563132D+00 -0.262258D+01 -0.480090D+00  0.194528D+01
      2   0.907540D+00 -0.343494D+00 -0.480090D+00 -0.829889D+00 -0.206141D-02
      3  -0.343494D+00  0.424095D+00  0.194528D+01 -0.206141D-02 -0.206766D+01
               181           182           183           184           185 
      1   0.427971D+01 -0.275698D+01  0.149956D+01 -0.289026D+01  0.305355D+01
      2  -0.275698D+01  0.248716D+01 -0.136880D+01  0.305355D+01 -0.526670D+01
      3   0.149956D+01 -0.136880D+01  0.139290D+01 -0.145174D+01  0.194011D+01
               186           187           188           189           190 
      1  -0.145174D+01  0.265747D+01 -0.268672D+01  0.241354D+01  0.441730D+01
      2   0.194011D+01 -0.268672D+01  0.298471D+01 -0.231910D+01  0.982067D+00
      3  -0.156124D+01  0.241354D+01 -0.231910D+01  0.268096D+01  0.179267D+01
               191           192           193           194           195 
      1   0.982067D+00  0.179267D+01  0.261475D+01  0.167107D+00  0.184034D+01
      2   0.173726D+01  0.811001D+00  0.167107D+00  0.202581D+01  0.342650D-01
      3   0.811001D+00  0.148414D+01  0.184034D+01  0.342650D-01  0.134487D+01
               196           197           198           199           200 
      1   0.978544D+00  0.101735D+01  0.947159D+00 -0.160831D+01  0.124267D+01
      2   0.101735D+01  0.189185D+00  0.585461D+00  0.124267D+01 -0.978649D+00
      3   0.947159D+00  0.585461D+00  0.174160D+01 -0.937942D-01  0.988560D+00
               201           202           203           204           205 
      1  -0.937942D-01 -0.207287D-01 -0.373075D-01  0.331779D+00  0.120815D+01
      2   0.988560D+00 -0.373075D-01 -0.121043D+01  0.904113D+00 -0.229548D+00
      3  -0.163714D+01  0.331779D+00  0.904113D+00 -0.133203D+01  0.108406D+00
               206           207           208           209           210 
      1  -0.229548D+00  0.108406D+00 -0.355004D+01 -0.112262D+01 -0.160372D+01
      2   0.133406D+01 -0.130518D+01 -0.112262D+01 -0.354852D+01 -0.191304D+01
      3  -0.130518D+01  0.569594D+01 -0.160372D+01 -0.191304D+01 -0.187372D+01
               211           212           213           214           215 
      1  -0.168275D+01 -0.127578D+01 -0.942564D+00 -0.127632D+01 -0.838978D+00
      2  -0.127578D+01 -0.134769D+01 -0.229869D+00 -0.838978D+00  0.815222D-01
      3  -0.942564D+00 -0.229869D+00 -0.704916D+00 -0.980118D+00 -0.599813D+00
               216           217           218           219           220 
      1  -0.980118D+00  0.878983D+00 -0.643165D+00 -0.124212D+01 -0.438167D+00
      2  -0.599813D+00 -0.643165D+00  0.154183D+01  0.432880D+00 -0.603713D-01
      3  -0.177412D+01 -0.124212D+01  0.432880D+00  0.198324D+01 -0.230042D+00
               221           222           223           224           225 
      1  -0.603713D-01 -0.230042D+00 -0.113336D+01  0.187591D+00  0.112422D+01
      2   0.202460D+01  0.351950D+00  0.187591D+00 -0.144958D+01 -0.793186D+00
      3   0.351950D+00  0.641791D+00  0.112422D+01 -0.793186D+00 -0.554313D+01
               226           227           228           229           230 
      1   0.456110D+00  0.420470D+00  0.817222D+00  0.252843D+01 -0.110075D+01
      2   0.420470D+00 -0.101172D+01 -0.129046D+00 -0.110075D+01  0.582794D+01
      3   0.817222D+00 -0.129046D+00  0.191244D+00  0.860943D+00 -0.883457D+00
               231           232           233           234           235 
      1   0.860943D+00  0.174513D+01 -0.391240D+00  0.546518D+00  0.891933D+00
      2  -0.883457D+00 -0.391240D+00  0.535054D-01  0.471277D+00 -0.738030D+00
      3   0.125268D+01  0.546518D+00  0.471277D+00 -0.225011D+00  0.316541D-01
               236           237           238           239           240 
      1  -0.738030D+00  0.316541D-01 -0.122826D+01  0.106125D+00 -0.428568D+00
      2  -0.607429D-01 -0.374675D+00  0.106125D+00  0.693040D+00 -0.558665D+00
      3  -0.374675D+00  0.680453D+00 -0.428568D+00 -0.558665D+00 -0.350096D+00
               241           242           243           244           245 
      1  -0.186440D+01  0.230452D+00 -0.881190D+00 -0.357731D+01  0.111956D+01
      2   0.230452D+00 -0.103330D+01  0.111678D+01  0.111956D+01 -0.355423D+01
      3  -0.881190D+00  0.111678D+01 -0.707715D+01  0.161996D+01 -0.190745D+01
               246           247           248           249           250 
      1   0.161996D+01  0.167269D+01 -0.127535D+01 -0.936406D+00  0.128629D+01
      2  -0.190745D+01 -0.127535D+01  0.132094D+01  0.221179D+00 -0.832050D+00
      3  -0.187880D+01 -0.936406D+00  0.221179D+00  0.699639D+00 -0.983723D+00
               251           252           253           254           255 
      1  -0.832050D+00 -0.983723D+00  0.875536D+00  0.641971D+00  0.124546D+01
      2  -0.828656D-01  0.599920D+00  0.641971D+00  0.155549D+01  0.441454D+00
      3   0.599920D+00  0.177822D+01  0.124546D+01  0.441454D+00  0.199129D+01
               256           257           258           259           260 
      1   0.443050D+00 -0.482074D-01 -0.224198D+00  0.113373D+01  0.188646D+00
      2  -0.482074D-01 -0.201819D+01 -0.350630D+00  0.188646D+00  0.145398D+01
      3  -0.224198D+00 -0.350630D+00 -0.628901D+00  0.112545D+01  0.803312D+00
               261           262           263           264           265 
      1   0.112545D+01  0.443898D+01 -0.981390D+00 -0.179235D+01 -0.260463D+01
      2   0.803312D+00 -0.981390D+00  0.176971D+01  0.790043D+00  0.180487D+00
      3   0.554335D+01 -0.179235D+01  0.790043D+00  0.148730D+01  0.182280D+01
               266           267           268           269           270 
      1   0.180487D+00  0.182280D+01 -0.974222D+00  0.100836D+01  0.943951D+00
      2  -0.209667D+01  0.148360D-01  0.100836D+01 -0.138713D+00 -0.599887D+00
      3   0.148360D-01 -0.135151D+01  0.943951D+00 -0.599887D+00 -0.171707D+01
               271           272           273           274           275 
      1  -0.159656D+01 -0.124536D+01  0.904894D-01  0.120730D-01 -0.451427D-01
      2  -0.124536D+01 -0.986297D+00  0.986827D+00 -0.451427D-01  0.120250D+01
      3   0.904894D-01  0.986827D+00 -0.163541D+01  0.332714D+00 -0.896369D+00
               276           277           278           279           280 
      1   0.332714D+00 -0.121001D+01 -0.235111D+00  0.113262D+00 -0.961095D+00
      2  -0.896369D+00 -0.235111D+00 -0.133402D+01  0.129881D+01 -0.672856D+00
      3   0.131900D+01  0.113262D+00  0.129881D+01 -0.570769D+01 -0.987143D+00
               281           282           283           284           285 
      1  -0.672856D+00 -0.987143D+00 -0.152739D+01 -0.128713D+01 -0.571828D+00
      2  -0.421295D+00 -0.187461D+00 -0.128713D+01 -0.409934D+01 -0.203981D+01
      3  -0.187461D+00 -0.416637D+00 -0.571828D+00 -0.203981D+01 -0.224223D+01
               286           287           288           289           290 
      1  -0.163131D+01 -0.418189D+00 -0.904885D+00 -0.909369D+01  0.229392D+01
      2  -0.418189D+00 -0.156488D+01 -0.146465D+01  0.229392D+01 -0.160677D+01
      3  -0.904885D+00 -0.146465D+01 -0.214437D+01 -0.248023D+01  0.617240D+00
               291           292           293           294           295 
      1  -0.248023D+01  0.446954D+01 -0.243616D+01  0.143894D+01 -0.273242D+01
      2   0.617240D+00 -0.243616D+01  0.138979D+01 -0.122477D+01  0.772423D+00
      3  -0.185130D+01  0.143894D+01 -0.122477D+01  0.926123D+00 -0.237708D+01
               296           297           298           299           300 
      1   0.772423D+00 -0.237708D+01 -0.906257D+01 -0.231686D+01  0.246246D+01
      2  -0.764908D+00  0.629242D+00 -0.231686D+01 -0.162311D+01  0.619307D+00
      3   0.629242D+00 -0.149139D+01  0.246246D+01  0.619307D+00 -0.184022D+01
               301           302           303           304           305 
      1  -0.449576D+01 -0.246143D+01  0.143989D+01  0.271376D+01  0.776392D+00
      2  -0.246143D+01 -0.141798D+01  0.122934D+01  0.776392D+00  0.768523D+00
      3   0.143989D+01  0.122934D+01 -0.930784D+00 -0.236643D+01 -0.637074D+00
               306           307           308           309           310 
      1  -0.236643D+01 -0.956074D+00  0.690755D+00  0.984915D+00  0.155493D+01
      2  -0.637074D+00  0.690755D+00 -0.433916D+00 -0.197059D+00 -0.129730D+01
      3   0.148078D+01  0.984915D+00 -0.197059D+00 -0.426466D+00 -0.584464D+00
               311           312           313           314           315 
      1  -0.129730D+01 -0.584464D+00  0.163235D+01 -0.422553D+00 -0.912156D+00
      2   0.409299D+01  0.203434D+01 -0.422553D+00  0.155967D+01  0.146002D+01
      3   0.203434D+01  0.224085D+01 -0.912156D+00  0.146002D+01  0.214110D+01
               316           317           318           319           320 
      1   0.880444D+00  0.742726D+00 -0.291398D-01  0.123775D+01  0.115549D+00
      2   0.742726D+00 -0.547148D-01 -0.373976D+00  0.115549D+00 -0.686826D+00
      3  -0.291398D-01 -0.373976D+00  0.672640D+00 -0.433003D+00  0.554308D+00
               321           322           323           324           325 
      1  -0.433003D+00  0.186268D+01  0.234329D+00 -0.883766D+00  0.469075D+00
      2   0.554308D+00  0.234329D+00  0.103242D+01 -0.110890D+01 -0.404761D+00
      3   0.365293D+00 -0.883766D+00 -0.110890D+01  0.708003D+01 -0.816927D+00
               326           327           328           329           330 
      1  -0.404761D+00 -0.816927D+00 -0.251330D+01 -0.109894D+01  0.852332D+00
      2  -0.993420D+00 -0.137254D+00 -0.109894D+01 -0.583325D+01  0.901015D+00
      3  -0.137254D+00  0.193702D+00  0.852332D+00  0.901015D+00 -0.125273D+01
               331           332           333 
      1  -0.173609D+01 -0.397117D+00  0.543272D+00
      2  -0.397117D+00 -0.431073D-01 -0.469317D+00
      3   0.543272D+00 -0.469317D+00  0.232908D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.249152D+01 -0.238608D+00  0.872654D-01  0.689328D+00 -0.193845D+01
      2  -0.530179D+01 -0.670605D+01  0.712629D+01 -0.817673D+01 -0.795315D+01
      3  -0.101271D+02 -0.207250D+01  0.279256D+01  0.736155D+00  0.998472D+01
                 6             7             8             9            10 
      1  -0.420142D+01  0.497489D+00 -0.539078D+00 -0.702052D+00  0.247305D+01
      2  -0.610889D+01  0.277506D+01 -0.842264D+00  0.169957D+01  0.537193D+01
      3   0.842594D+01  0.396230D+01  0.897628D+01  0.368068D+01  0.101292D+02
                11            12            13            14            15 
      1   0.304128D+00 -0.101752D+00 -0.621659D+00 -0.195040D+01 -0.421508D+01
      2  -0.672302D+01  0.712109D+01 -0.822236D+01  0.787489D+01  0.610914D+01
      3  -0.192410D+01  0.284841D+01  0.889943D+00 -0.997751D+01 -0.841582D+01
                16            17            18            19            20 
      1  -0.507287D+00 -0.536111D+00 -0.687642D+00 -0.895016D+00  0.679988D+01
      2   0.276188D+01  0.835963D+00 -0.168396D+01 -0.189088D+02 -0.117575D+01
      3   0.401907D+01 -0.897606D+01 -0.366853D+01 -0.127252D+02  0.308660D+01
                21            22            23            24            25 
      1   0.190667D+01  0.178705D+02  0.152101D+02 -0.995641D+01  0.109869D+02
      2  -0.163193D+01 -0.867845D+00 -0.291243D+01 -0.689718D+00 -0.240512D+02
      3   0.162217D+01  0.252528D+02  0.164839D+02 -0.945022D+01  0.267328D+01
                26            27            28            29            30 
      1   0.681433D+01 -0.132968D+02 -0.155613D+01  0.159256D-01  0.109533D-01
      2  -0.852686D+01  0.212850D+02 -0.594115D-01  0.103939D+01 -0.364288D+01
      3  -0.221326D+01 -0.779621D-01 -0.301715D-01  0.732259D+01  0.142933D+01
                31            32            33            34            35 
      1  -0.190944D-01 -0.761220D-01  0.463916D+01 -0.853420D-02 -0.111059D+02
      2  -0.441246D+00 -0.301467D-01  0.208571D-02  0.120985D+02  0.330790D-01
      3  -0.919278D+01 -0.725851D-02  0.501189D-01  0.303302D+00  0.135938D-01
                36            37            38            39            40 
      1   0.181694D+00 -0.635683D+01  0.782931D+01  0.687449D+01  0.124801D+02
      2  -0.287441D-01 -0.195579D+02 -0.842491D+01  0.769267D+01  0.101191D+01
      3  -0.151426D-01 -0.218122D+02 -0.293472D+01  0.116890D+02  0.184267D+02
                41            42            43            44            45 
      1   0.114427D+02 -0.423477D+01  0.121968D+02  0.945740D+01 -0.729234D+01
      2  -0.537594D+00 -0.954863D+01 -0.184744D+02 -0.175774D+02  0.179190D+02
      3   0.162841D+02 -0.796419D+01  0.478610D+01 -0.471476D+01  0.310554D+01
                46            47            48            49            50 
      1   0.569269D+01 -0.482696D+01  0.270128D+01 -0.441815D+01 -0.839893D+01
      2  -0.393490D+01  0.564269D+01 -0.193548D+01  0.450543D+01  0.593999D+01
      3  -0.365761D+01  0.383447D-01 -0.906473D+01  0.570753D+01 -0.314104D+01
                51            52            53            54            55 
      1  -0.635702D+01  0.769742D+00 -0.352149D+01  0.140925D+01 -0.782353D+00
      2   0.306263D+01 -0.364178D+01  0.426175D+01 -0.106780D+01 -0.928686D+00
      3  -0.284219D+01 -0.134566D+02 -0.171743D+01 -0.507468D+01  0.579635D+01
                56            57            58            59            60 
      1   0.918743D+01 -0.669308D+01  0.105177D+02  0.347132D+01 -0.684501D+00
      2  -0.389506D+01  0.430256D+01 -0.359375D+01 -0.163005D+00  0.723029D+00
      3  -0.437626D+01  0.226473D+01  0.105772D+01  0.472201D+00 -0.920901D+01
                61            62            63            64            65 
      1  -0.650500D+01 -0.234080D+00 -0.148174D+01 -0.486801D-02  0.154790D+01
      2   0.287795D+00  0.130796D+01  0.654402D+00 -0.238708D+01  0.181441D+02
      3   0.571526D+01 -0.121651D+02  0.547558D+01 -0.271400D+00 -0.318537D+02
                66            67            68            69            70 
      1   0.674731D+01 -0.310489D+01 -0.186209D+02  0.191860D+01  0.710836D+01
      2   0.116819D+02  0.913130D+01 -0.255883D+01 -0.389619D+01  0.775449D+00
      3  -0.128373D+02 -0.925375D+01  0.588370D+01  0.638076D+01 -0.619265D+01
                71            72            73            74            75 
      1   0.295809D+02  0.182718D+02 -0.874610D+00 -0.685079D+01 -0.185284D+01
      2  -0.943915D+00  0.243889D+01  0.190175D+02 -0.117247D+01 -0.154348D+01
      3   0.201115D+01 -0.304375D+01  0.126953D+02  0.314538D+01  0.163073D+01
                76            77            78            79            80 
      1  -0.179024D+02  0.151137D+02 -0.992817D+01 -0.109354D+02  0.679153D+01
      2  -0.911457D+00  0.298601D+01  0.666437D+00 -0.240009D+02  0.848619D+01
      3   0.252543D+02 -0.163570D+02  0.940371D+01  0.271207D+01  0.219488D+01
                81            82            83            84            85 
      1  -0.132283D+02 -0.634501D+01 -0.785590D+01 -0.692681D+01 -0.125355D+02
      2  -0.213227D+02  0.194980D+02 -0.843106D+01  0.764616D+01  0.102991D+01
      3   0.653273D-01  0.217011D+02 -0.285526D+01  0.116969D+02  0.185252D+02
                86            87            88            89            90 
      1   0.114323D+02 -0.431258D+01 -0.121834D+02  0.929980D+01 -0.721577D+01
      2   0.470340D+00  0.962372D+01 -0.185169D+02  0.175825D+02 -0.179073D+02
      3  -0.163129D+02  0.806716D+01  0.479288D+01  0.480008D+01 -0.312861D+01
                91            92            93            94            95 
      1   0.562065D+01  0.493091D+01 -0.266730D+01  0.447972D+01 -0.835143D+01
      2   0.390030D+01  0.575822D+01 -0.192621D+01  0.456489D+01 -0.594139D+01
      3   0.362936D+01  0.176444D+00 -0.911696D+01  0.574983D+01  0.307683D+01
                96            97            98            99           100 
      1  -0.635120D+01 -0.713164D+00 -0.353573D+01  0.138595D+01 -0.682587D+00
      2  -0.309319D+01 -0.359511D+01 -0.430916D+01  0.105603D+01  0.969288D+00
      3   0.280404D+01 -0.134545D+02  0.164168D+01  0.506241D+01 -0.577430D+01
               101           102           103           104           105 
      1  -0.923610D+01  0.663480D+01 -0.105526D+02  0.343436D+01 -0.619345D+00
      2  -0.392927D+01  0.431851D+01 -0.363693D+01  0.143268D+00 -0.709127D+00
      3  -0.443560D+01  0.220509D+01  0.103003D+01 -0.536018D+00  0.924206D+01
               106           107           108           109           110 
      1   0.644659D+01 -0.148523D+00 -0.144771D+01 -0.208562D-01 -0.156196D+01
      2   0.295551D+00 -0.129924D+01 -0.655403D+00  0.230368D+01  0.181346D+02
      3   0.564447D+01  0.122314D+02 -0.542928D+01  0.409690D+00 -0.318371D+02
               111           112           113           114           115 
      1  -0.679630D+01  0.314450D+01 -0.186488D+02  0.183332D+01 -0.720483D+01
      2   0.116400D+02  0.913260D+01  0.260687D+01  0.394904D+01  0.737162D+00
      3  -0.128105D+02 -0.920319D+01 -0.603331D+01 -0.643051D+01 -0.617013D+01
               116           117           118           119           120 
      1   0.295508D+02  0.182990D+02 -0.421714D+01  0.115176D+01 -0.312390D+01
      2   0.103647D+01 -0.238271D+01  0.507890D+01 -0.113554D+01  0.539923D+01
      3  -0.202692D+01  0.303834D+01  0.116157D+02 -0.455474D+01  0.491852D+01
               121           122           123           124           125 
      1   0.167919D+01 -0.835607D+00  0.589732D+00 -0.434866D+01  0.201777D+01
      2  -0.199108D+01  0.109867D+01 -0.205782D+01  0.446788D+01 -0.442316D+00
      3  -0.393621D+01  0.665497D+01 -0.269271D+01  0.820659D+01 -0.455369D+01
               126           127           128           129           130 
      1  -0.578983D+01  0.170162D+01  0.109587D+01 -0.353445D+01  0.229607D+01
      2   0.685621D+01 -0.841661D+00 -0.124708D+01  0.350388D+01 -0.192278D+01
      3   0.478051D+01  0.442067D+01 -0.320677D+00 -0.871924D+00  0.136288D+01
               131           132           133           134           135 
      1   0.126509D+01 -0.426350D+01 -0.188269D+01  0.137516D+00  0.536674D+01
      2  -0.240253D+01  0.356986D+01  0.943111D+00  0.195330D+01 -0.490574D+01
      3  -0.517861D+01  0.562209D+00  0.817158D+00  0.368324D+01  0.202155D+00
               136           137           138           139           140 
      1   0.467575D+01 -0.330813D+01  0.512022D+01 -0.241801D+01  0.342289D+01
      2  -0.983233D+00  0.646133D+00  0.358752D+00  0.578624D+00 -0.603910D+00
      3  -0.119658D+02  0.347935D+01 -0.512519D+01  0.425183D+01 -0.666802D+01
               141           142           143           144           145 
      1  -0.393460D+01  0.437883D+01 -0.411210D+01  0.902099D+01 -0.437641D+00
      2   0.207489D+00 -0.223109D+01  0.495987D+00 -0.156734D+01 -0.333379D+00
      3   0.271701D+01 -0.840876D+01  0.445871D+01 -0.497346D+01  0.312251D+01
               146           147           148           149           150 
      1  -0.227593D+01 -0.203527D+01 -0.929665D+00 -0.393678D+01 -0.691522D+01
      2   0.237747D+00  0.991621D+00 -0.462083D+00  0.134198D+01  0.207247D+01
      3   0.316583D+01  0.798821D+00  0.490201D+01 -0.238218D+01 -0.465798D+00
               151           152           153           154           155 
      1  -0.517745D+00 -0.237556D+01 -0.664902D+01  0.460264D+01  0.335694D+01
      2  -0.138803D+01  0.541023D+00  0.206545D+01  0.973864D+00  0.664042D+00
      3   0.258634D+01  0.254818D+01 -0.314705D+00  0.118802D+02  0.356819D+01
               156           157           158           159           160 
      1  -0.508016D+01  0.245463D+01  0.342714D+01 -0.398340D+01 -0.431824D+01
      2   0.351908D+00  0.596444D+00  0.609876D+00 -0.225558D+00 -0.222503D+01
      3  -0.507110D+01  0.433168D+01  0.669612D+01 -0.275778D+01 -0.835261D+01
               161           162           163           164           165 
      1  -0.416383D+01  0.898615D+01 -0.462999D+00  0.229268D+01  0.207459D+01
      2  -0.529125D+00  0.159064D+01  0.335405D+00  0.250820D+00  0.101203D+01
      3  -0.452797D+01  0.494504D+01 -0.316859D+01  0.314533D+01  0.809396D+00
               166           167           168           169           170 
      1   0.955352D+00 -0.393152D+01 -0.690123D+01  0.547911D+00 -0.239039D+01
      2  -0.450826D+00 -0.136039D+01 -0.209694D+01 -0.138667D+01 -0.555819D+00
      3   0.486965D+01  0.240090D+01  0.461841D+00  0.261020D+01 -0.254930D+01
               171           172           173           174           175 
      1  -0.668081D+01 -0.416792D+01 -0.116768D+01  0.309164D+01 -0.168934D+01
      2  -0.210346D+01 -0.506342D+01 -0.117105D+01  0.539257D+01 -0.202488D+01
      3   0.300912D+00 -0.115820D+02 -0.459874D+01  0.490645D+01 -0.397205D+01
               176           177           178           179           180 
      1  -0.935000D+00  0.643260D+00  0.430968D+01  0.210653D+01 -0.577989D+01
      2  -0.119024D+01  0.212979D+01  0.447029D+01  0.530404D+00 -0.688835D+01
      3  -0.686664D+01  0.278615D+01  0.817674D+01  0.469468D+01 -0.482990D+01
               181           182           183           184           185 
      1   0.171022D+01 -0.110322D+01  0.353972D+01 -0.228491D+01  0.123626D+01
      2   0.859236D+00 -0.126749D+01  0.353209D+01 -0.193287D+01  0.238443D+01
      3  -0.442530D+01 -0.377611D+00 -0.857464D+00  0.132497D+01  0.517869D+01
               186           187           188           189           190 
      1  -0.423832D+01  0.186823D+01  0.160929D+00  0.533585D+01  0.449770D+01
      2  -0.357043D+01  0.942487D+00 -0.192944D+01  0.491012D+01 -0.300285D+01
      3  -0.558211D+00  0.821907D+00 -0.365297D+01 -0.208568D+00 -0.711118D+01
               191           192           193           194           195 
      1   0.379150D+01  0.325996D+01  0.451335D+01  0.498649D+01  0.237160D+01
      2  -0.959287D+00  0.644099D+00 -0.471365D+01  0.915128D+00 -0.647563D+00
      3  -0.564095D+01 -0.368686D+01 -0.683751D+01 -0.572190D+01 -0.414939D+01
               196           197           198           199           200 
      1   0.193751D+01  0.249798D+01  0.245256D+01  0.124633D+01 -0.161697D+01
      2   0.487460D+00  0.694916D+00  0.991639D+00 -0.110105D+01  0.287891D+01
      3  -0.172146D+01 -0.112674D+01 -0.281220D+01 -0.210158D+01  0.247742D+01
               201           202           203           204           205 
      1  -0.787226D+00  0.222822D+00 -0.304377D+00 -0.801313D+00 -0.140917D+00
      2  -0.597811D+01  0.162327D+01  0.166339D+01 -0.273875D+01 -0.163820D+01
      3  -0.282999D+01  0.162426D+01  0.109978D+01 -0.166291D+01 -0.604469D-01
               206           207           208           209           210 
      1   0.151127D+01  0.411774D+01 -0.261733D+01  0.284795D+01 -0.203817D+01
      2  -0.277934D+01  0.115387D+02 -0.794752D+01 -0.423806D+01 -0.334161D+01
      3  -0.236771D+01  0.243581D+01  0.114921D+02  0.443408D+01  0.582488D+01
               211           212           213           214           215 
      1   0.784881D-01 -0.840691D+00 -0.161343D+01 -0.250036D+01 -0.224465D+00
      2  -0.196798D+01 -0.634811D+00 -0.984729D+00 -0.246812D+01 -0.362290D+00
      3   0.330097D+01  0.127179D+01  0.118697D+01  0.213716D+01  0.106091D+01
               216           217           218           219           220 
      1  -0.206686D+01 -0.235864D+01  0.192855D-01  0.521104D+01 -0.389458D+00
      2  -0.180479D+01  0.183237D+01 -0.135873D+01 -0.152578D+01  0.724423D+00
      3   0.298055D+01 -0.223974D+01  0.830183D+00  0.291987D+01 -0.412772D-01
               221           222           223           224           225 
      1   0.143254D+01  0.312903D+01  0.221899D+01  0.232725D+00 -0.117430D+02
      2  -0.225218D+01 -0.142967D+01 -0.259002D+01  0.777939D+00  0.185936D+01
      3   0.314803D+01  0.156308D+01  0.223506D+01 -0.119604D+01 -0.257406D+01
               226           227           228           229           230 
      1   0.776289D+00 -0.105757D+01  0.912296D+00  0.230215D+01 -0.102044D+02
      2   0.157830D+01  0.534048D+00  0.153146D+01  0.297183D+01  0.507876D+00
      3   0.393354D+00  0.578592D+00 -0.557420D+00  0.101209D+01  0.124185D+02
               231           232           233           234           235 
      1   0.821694D-01  0.234661D+01 -0.238360D+01  0.123811D+00 -0.193904D+01
      2  -0.926647D+00  0.157806D+01 -0.177472D+01  0.691027D+00  0.851159D+00
      3  -0.159127D+01 -0.186034D+00  0.223522D+01  0.351203D+00  0.177139D+01
               236           237           238           239           240 
      1   0.817322D+00 -0.201887D+01  0.849730D+00  0.225998D+00  0.168606D+01
      2   0.139956D+01 -0.282295D+01  0.133044D+00  0.139665D+01  0.991743D+00
      3  -0.737656D+00 -0.303637D+00  0.207403D+00  0.343631D+00 -0.162258D+01
               241           242           243           244           245 
      1   0.155963D+01  0.692045D+00  0.689167D+01 -0.266554D+01 -0.284533D+01
      2  -0.149198D+01 -0.266328D+01  0.140783D+02  0.798357D+01 -0.421053D+01
      3  -0.223661D+01 -0.140416D+01  0.140706D+01 -0.115843D+02  0.435719D+01
               246           247           248           249           250 
      1   0.207532D+01 -0.900421D-01 -0.863075D+00 -0.160671D+01  0.251967D+01
      2  -0.334749D+01 -0.192841D+01  0.616147D+00  0.963551D+00 -0.247133D+01
      3   0.584985D+01  0.323141D+01 -0.127156D+01 -0.116197D+01  0.216270D+01
               251           252           253           254           255 
      1  -0.211740D+00 -0.207815D+01 -0.236279D+01 -0.338800D-01 -0.523027D+01
      2   0.354616D+00  0.180117D+01 -0.184254D+01 -0.137242D+01 -0.155139D+01
      3  -0.105535D+01 -0.299094D+01  0.224329D+01  0.857267D+00  0.293274D+01
               256           257           258           259           260 
      1   0.372534D+00  0.140960D+01  0.308935D+01 -0.222023D+01  0.214456D+00
      2   0.709725D+00  0.225585D+01  0.143289D+01 -0.260033D+01 -0.791440D+00
      3  -0.241518D-01 -0.314236D+01 -0.155282D+01  0.224005D+01  0.120890D+01
               261           262           263           264           265 
      1  -0.117335D+02  0.452041D+01 -0.385848D+01 -0.321643D+01 -0.452316D+01
      2  -0.190349D+01  0.305159D+01 -0.102882D+01  0.665603D+00 -0.476275D+01
      3   0.258636D+01  0.718237D+01 -0.577365D+01 -0.363320D+01 -0.690832D+01
               266           267           268           269           270 
      1   0.516674D+01  0.224090D+01 -0.190889D+01  0.238194D+01  0.247704D+01
      2  -0.720034D+00  0.567062D+00  0.517254D+00 -0.775478D+00 -0.930106D+00
      3   0.602520D+01  0.396401D+01 -0.167119D+01  0.952257D+00  0.286823D+01
               271           272           273           274           275 
      1   0.122151D+01  0.160311D+01  0.809878D+00 -0.222294D+00 -0.297826D+00
      2   0.110669D+01  0.288915D+01 -0.597582D+01  0.163174D+01 -0.164601D+01
      3   0.208969D+01  0.247769D+01 -0.282043D+01  0.163490D+01 -0.108453D+01
               276           277           278           279           280 
      1  -0.798405D+00  0.141312D+00  0.150862D+01  0.417156D+01  0.625687D+00
      2   0.269862D+01 -0.162221D+01  0.276392D+01 -0.115584D+02  0.380412D+01
      3   0.165106D+01 -0.556552D-01  0.236152D+01 -0.241627D+01 -0.236288D+01
               281           282           283           284           285 
      1   0.138987D+00  0.148806D+00  0.135728D+01  0.511331D+01  0.548848D+00
      2  -0.414404D+00  0.354887D+00 -0.486187D+00  0.592876D+01  0.798109D+01
      3  -0.112894D+01 -0.460716D+00 -0.148566D+01 -0.155253D+02 -0.730536D+01
               286           287           288           289           290 
      1   0.117501D+00  0.301641D+01  0.108494D+01 -0.135001D+01  0.154673D+01
      2  -0.452470D+00  0.507981D+01  0.623840D+01 -0.710056D+00 -0.406115D+00
      3  -0.100429D+01 -0.585174D+01 -0.565609D+01  0.479857D+01 -0.644387D+01
               291           292           293           294           295 
      1  -0.896946D-01  0.154858D+01 -0.143854D+01 -0.168136D+00 -0.837761D-01
      2   0.596490D+01  0.377324D+01  0.122354D+01 -0.159867D+01  0.241992D+01
      3   0.214805D+01 -0.312076D+01  0.483015D+01 -0.329788D+01 -0.628393D-01
               296           297           298           299           300 
      1   0.133907D+01  0.725510D-01 -0.134226D+01 -0.154128D+01  0.637382D-01
      2  -0.152396D+01  0.272727D+01  0.692734D+00 -0.403588D+00  0.595667D+01
      3  -0.306685D+01  0.108827D+01 -0.478431D+01 -0.646091D+01  0.213328D+01
               301           302           303           304           305 
      1  -0.157009D+01 -0.144505D+01 -0.179130D+00  0.737630D-01  0.132871D+01
      2   0.378921D+01 -0.120892D+01  0.162466D+01  0.241740D+01  0.153731D+01
      3  -0.314730D+01 -0.488590D+01  0.330276D+01 -0.707499D-01  0.306230D+01
               306           307           308           309           310 
      1   0.814421D-01  0.691897D+00 -0.146957D+00 -0.162726D+00 -0.135320D+01
      2  -0.270590D+01 -0.385662D+01 -0.421940D+00  0.413414D+00 -0.497130D+00
      3  -0.109059D+01  0.248566D+01 -0.116370D+01 -0.524449D+00 -0.151146D+01
               311           312           313           314           315 
      1   0.512704D+01  0.559747D+00 -0.135410D+00  0.302426D+01  0.109962D+01
      2  -0.591706D+01 -0.797082D+01 -0.410299D+00 -0.506172D+01 -0.623204D+01
      3   0.155545D+02  0.728693D+01 -0.104878D+01  0.584273D+01  0.565287D+01
               316           317           318           319           320 
      1  -0.193055D+01 -0.829995D+00  0.201670D+01 -0.868963D+00  0.230815D+00
      2  -0.855769D+00  0.138731D+01 -0.279805D+01  0.129176D+00 -0.138650D+01
      3  -0.177932D+01 -0.750514D+00 -0.295479D+00  0.185110D+00 -0.337416D+00
               321           322           323           324           325 
      1   0.171385D+01 -0.156496D+01  0.681328D+00  0.695160D+01  0.822181D+00
      2  -0.102438D+01 -0.149327D+01  0.263899D+01 -0.140579D+02 -0.159303D+01
      3   0.162668D+01 -0.224502D+01  0.138798D+01 -0.137689D+01 -0.353494D+00
               326           327           328           329           330 
      1   0.107811D+01 -0.931412D+00 -0.231747D+01 -0.101735D+02  0.115883D+00
      2   0.528962D+00  0.152129D+01  0.295417D+01 -0.544522D+00  0.942426D+00
      3   0.605150D+00 -0.592362D+00  0.983445D+00 -0.123783D+02  0.164705D+01
               331           332           333 
      1  -0.234609D+01 -0.236832D+01  0.130412D+00
      2   0.155566D+01  0.177558D+01 -0.694071D+00
      3  -0.204268D+00 -0.219971D+01 -0.345215D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.187240D+02  0.248677D+02 -0.203379D+02  0.311244D+02 -0.282944D+01
      2   0.120019D+02 -0.141847D+02  0.100743D+02 -0.181288D+02  0.305803D+01
      3   0.672210D+01 -0.106830D+02  0.102636D+02 -0.129956D+02 -0.228589D+00
      4   0.222903D+02 -0.618113D+01  0.390546D+01 -0.829434D+01 -0.109612D+02
      5  -0.194609D+02  0.523506D+01 -0.716324D+01  0.982830D+01 -0.179403D+02
      6   0.707462D+01 -0.448635D+00 -0.808003D+00 -0.428663D+01 -0.470700D+01
                 6             7             8             9            10 
      1   0.721441D+01 -0.158535D+02  0.469427D+01 -0.375322D+01 -0.183576D+02
      2  -0.446649D+01  0.729969D+01 -0.304716D+01  0.101354D+00  0.116848D+02
      3  -0.274792D+01  0.855382D+01 -0.164711D+01  0.365187D+01  0.667278D+01
      4  -0.155693D+02  0.421616D+01 -0.130676D+02 -0.347112D+01 -0.223830D+02
      5  -0.554051D+01 -0.739788D+01 -0.351722D+01  0.489256D+01  0.193127D+02
      6  -0.617856D+01  0.189609D+00 -0.552074D+01 -0.144384D+01  0.709635D+01
                11            12            13            14            15 
      1  -0.248792D+02  0.202693D+02 -0.311525D+02 -0.324811D+01  0.708686D+01
      2   0.141512D+02 -0.999515D+01  0.181030D+02  0.330462D+01 -0.435670D+01
      3   0.107280D+02 -0.102741D+02  0.130496D+02 -0.565085D-01 -0.273017D+01
      4  -0.654056D+01  0.390496D+01 -0.871099D+01  0.108975D+02  0.156375D+02
      5   0.515520D+01 -0.708793D+01  0.972585D+01  0.180267D+02  0.556495D+01
      6   0.528058D+00  0.833869D+00  0.438934D+01 -0.461356D+01 -0.613139D+01
                16            17            18            19            20 
      1   0.157840D+02  0.458436D+01 -0.368947D+01  0.131327D+02  0.129843D+02
      2  -0.723011D+01 -0.294896D+01  0.899072D-01 -0.143389D+02 -0.929034D+01
      3  -0.855388D+01 -0.163540D+01  0.359957D+01  0.120612D+01 -0.369396D+01
      4   0.420044D+01  0.131244D+02  0.347122D+01  0.533077D+01 -0.285018D+00
      5  -0.734365D+01  0.352773D+01 -0.491030D+01 -0.104671D+02 -0.295960D+01
      6  -0.169991D+00 -0.550226D+01 -0.144983D+01 -0.750197D+01  0.132940D+01
                21            22            23            24            25 
      1  -0.117515D+02  0.660016D+01  0.229895D+01  0.189330D+01 -0.540414D+01
      2   0.108618D+02 -0.471148D+01 -0.865748D+01  0.312944D+00  0.547447D+01
      3   0.889610D+00 -0.188868D+01  0.635853D+01 -0.220624D+01 -0.703255D-01
      4  -0.104033D+01 -0.250275D+00 -0.113164D+02 -0.170024D+01 -0.113648D+01
      5   0.743519D+01 -0.199344D+01 -0.259870D+01  0.172754D+01  0.566562D+01
      6   0.141176D+01  0.223479D+00  0.448180D+01  0.358802D+01  0.180709D+00
                26            27            28            29            30 
      1   0.570498D-01  0.101958D+02 -0.114848D+02 -0.140400D-01  0.203669D-01
      2  -0.691264D+00  0.445299D+01  0.216234D+01  0.120330D-01 -0.266303D-01
      3   0.634214D+00 -0.146488D+02  0.932246D+01  0.200695D-02  0.626349D-02
      4  -0.129630D+00 -0.127483D+01 -0.118905D-02 -0.596103D+01 -0.547438D+01
      5  -0.257892D+00  0.701086D+01  0.123982D-01 -0.367663D+01 -0.236375D+01
      6   0.338487D+01  0.247540D+01 -0.326352D+01 -0.119406D-01  0.110085D-01
                31            32            33            34            35 
      1   0.805548D-02  0.225212D+01 -0.555385D+01  0.171621D-01 -0.829085D+01
      2  -0.113336D-01 -0.105580D+02  0.675975D+01 -0.212574D-01  0.899660D+01
      3   0.327812D-02  0.830589D+01 -0.120590D+01  0.409537D-02 -0.705747D+00
      4  -0.715796D+01  0.111659D-01 -0.376693D-01 -0.838312D+01 -0.217843D-01
      5  -0.332630D+01 -0.233009D-01  0.369664D-02  0.483707D+01 -0.247058D-02
      6  -0.167177D-01  0.396302D+01 -0.231908D+01  0.868515D-02  0.377332D+01
                36            37            38            39            40 
      1   0.279797D+00 -0.654613D+01  0.173394D+01  0.987846D+01  0.847926D+00
      2   0.437202D+00  0.103916D+02 -0.425965D+01 -0.712766D+01 -0.174280D-01
      3  -0.717000D+00 -0.384544D+01  0.252571D+01 -0.275080D+01 -0.830498D+00
      4  -0.565041D-02  0.105546D+02  0.548280D+01 -0.805232D+01  0.911589D+01
      5   0.113349D-01  0.266171D+01 -0.112342D+02  0.254605D+01 -0.107229D+02
      6  -0.794144D+00 -0.372909D+01 -0.511410D+01  0.631390D+01 -0.415998D+01
                41            42            43            44            45 
      1  -0.644733D+01 -0.525619D+01  0.823512D+01 -0.544968D+01  0.610716D+01
      2   0.444249D+01 -0.459308D+01 -0.420053D+01 -0.131486D+01  0.179058D+01
      3   0.200485D+01  0.984927D+01 -0.403459D+01  0.676454D+01 -0.789774D+01
      4   0.718981D+01 -0.947151D+01 -0.322830D+01 -0.648519D+01  0.229463D+01
      5  -0.460321D+01  0.317852D+01  0.191524D+01  0.890411D+00  0.110794D+01
      6  -0.316220D+01  0.946228D+00  0.430488D+01  0.304666D-01  0.624269D+01
                46            47            48            49            50 
      1  -0.677896D+01  0.142230D+01 -0.135137D+02  0.169838D+01 -0.100355D+01
      2   0.145053D+01 -0.167643D+01  0.174675D+02 -0.546003D+01  0.114059D+01
      3   0.532843D+01  0.254129D+00 -0.395381D+01  0.376165D+01 -0.137048D+00
      4  -0.116840D+02 -0.793682D+01  0.801938D+01 -0.131912D+02 -0.889514D+01
      5  -0.362232D+01  0.128737D+02 -0.845757D+01  0.135967D+02  0.122244D+02
      6   0.140022D+01  0.147747D+02 -0.927476D+01  0.151575D+02  0.119259D+02
                51            52            53            54            55 
      1   0.647524D+01 -0.161751D+02  0.744012D+01 -0.864745D+01  0.282203D+01
      2   0.685166D+01  0.202688D+02  0.502239D+01  0.444501D+01 -0.238187D+01
      3  -0.133269D+02 -0.409363D+01 -0.124625D+02  0.420244D+01 -0.440159D+00
      4   0.202302D+02  0.127421D+02  0.250263D+02 -0.106495D+02  0.333930D+01
      5  -0.165501D+01 -0.129040D+02 -0.421583D+01  0.145510D+01  0.145000D+01
      6  -0.511423D+01 -0.118803D+02 -0.548312D+01  0.220890D+01  0.513871D+01
                56            57            58            59            60 
      1   0.393428D+01  0.107069D+02  0.219818D+01  0.155275D+02  0.314914D+01
      2  -0.555440D+01 -0.199254D+02 -0.434278D+00 -0.228344D+02 -0.140104D+02
      3   0.162012D+01  0.921855D+01 -0.176391D+01  0.730688D+01  0.108613D+02
      4  -0.678264D+01  0.561835D+00 -0.268981D+01 -0.102998D+02 -0.201011D+02
      5  -0.326500D+01 -0.105614D+01 -0.341486D+01 -0.872021D+01 -0.411493D+01
      6  -0.177281D+02  0.357159D+01 -0.172425D+02 -0.191147D+02 -0.110955D+02
                61            62            63            64            65 
      1   0.139580D+02  0.787347D+01  0.978556D+01  0.275955D+01 -0.470242D+01
      2  -0.221337D+02 -0.183717D+02 -0.132628D+02 -0.219669D+01  0.386639D+01
      3   0.817578D+01  0.104983D+02  0.347719D+01 -0.562857D+00  0.836031D+00
      4   0.204422D+01 -0.241462D+02  0.155952D+01  0.722322D+01  0.109537D+01
      5  -0.434916D+00 -0.350684D+01 -0.105827D+01  0.278862D+01 -0.288162D+01
      6   0.411236D+01 -0.162094D+02 -0.106378D+01 -0.656655D+01  0.800963D+01
                66            67            68            69            70 
      1  -0.100327D+01 -0.431018D+01 -0.996526D+01 -0.480479D+01 -0.194017D+01
      2   0.107993D+02  0.406502D+00  0.112513D+02  0.756789D+01  0.987294D+01
      3  -0.979607D+01  0.390368D+01 -0.128606D+01 -0.276310D+01 -0.793277D+01
      4  -0.243269D+01 -0.265368D+01  0.133646D+02  0.115401D+02 -0.261783D+01
      5  -0.309594D+01 -0.189828D+01  0.156182D+01  0.273155D+01 -0.197133D+01
      6  -0.290088D+00  0.883962D+01  0.116849D+02  0.581263D+01 -0.173742D+01
                71            72            73            74            75 
      1  -0.265408D+01  0.796595D+00  0.132285D+02 -0.129620D+02  0.117117D+02
      2   0.248879D+01  0.584131D+01 -0.143970D+02  0.930035D+01 -0.108687D+02
      3   0.165291D+00 -0.663791D+01  0.116851D+01  0.366169D+01 -0.843010D+00
      4   0.620665D+01 -0.136820D+01 -0.520100D+01 -0.448307D+00 -0.971059D+00
      5   0.174115D+01 -0.520784D+01  0.105005D+02 -0.295552D+01  0.747622D+01
      6   0.336440D+01 -0.400538D+01 -0.745410D+01 -0.138461D+01 -0.142152D+01
                76            77            78            79            80 
      1  -0.656407D+01  0.210091D+01  0.190047D+01  0.539061D+01  0.307709D-01
      2   0.469246D+01 -0.851223D+01  0.236705D+00 -0.548694D+01 -0.737231D+00
      3   0.187161D+01  0.641132D+01 -0.213717D+01  0.963314D-01  0.706461D+00
      4  -0.382818D+00  0.113489D+02  0.171565D+01 -0.110620D+01  0.140391D+00
      5  -0.196889D+01  0.258032D+01 -0.167901D+01  0.568902D+01  0.290518D+00
      6  -0.285964D+00  0.444859D+01  0.357516D+01 -0.187194D+00  0.337220D+01
                81            82            83            84            85 
      1   0.102533D+02 -0.642623D+01 -0.171809D+01 -0.984554D+01 -0.846061D+00
      2   0.441623D+01  0.102975D+02  0.432726D+01  0.714501D+01  0.112016D+00
      3  -0.146695D+02 -0.387129D+01 -0.260917D+01  0.270053D+01  0.734046D+00
      4   0.131643D+01 -0.106562D+02  0.548821D+01 -0.817232D+01  0.913700D+01
      5  -0.699352D+01 -0.259685D+01 -0.113045D+02  0.252528D+01 -0.107854D+02
      6   0.250332D+01 -0.376539D+01  0.511951D+01 -0.633255D+01  0.414730D+01
                86            87            88            89            90 
      1  -0.639550D+01 -0.538344D+01 -0.824892D+01 -0.558040D+01  0.607504D+01
      2   0.448221D+01 -0.450481D+01  0.422499D+01 -0.124358D+01  0.175186D+01
      3   0.191328D+01  0.988825D+01  0.402393D+01  0.682398D+01 -0.782690D+01
      4  -0.715249D+01  0.941861D+01 -0.333613D+01  0.642261D+01 -0.225959D+01
      5   0.447827D+01 -0.318498D+01  0.188890D+01 -0.891653D+00 -0.111924D+01
      6  -0.313927D+01  0.885455D+00 -0.432337D+01 -0.497392D-02  0.622167D+01
                91            92            93            94            95 
      1  -0.689449D+01 -0.144766D+01  0.134245D+02 -0.165121D+01 -0.111164D+01
      2   0.152159D+01  0.174859D+01 -0.174840D+02  0.542043D+01  0.114645D+01
      3   0.537290D+01 -0.300934D+00  0.405950D+01 -0.376923D+01 -0.348133D-01
      4   0.117575D+02 -0.805483D+01  0.828874D+01 -0.132778D+02  0.899702D+01
      5   0.349557D+01  0.130592D+02 -0.847252D+01  0.137535D+02 -0.122020D+02
      6   0.154398D+01 -0.148109D+02  0.921968D+01 -0.151790D+02  0.117890D+02
                96            97            98            99           100 
      1   0.672122D+01  0.160623D+02  0.772831D+01 -0.868139D+01  0.289149D+01
      2   0.663312D+01 -0.202215D+02  0.473544D+01  0.452062D+01 -0.245964D+01
      3  -0.133543D+02  0.415925D+01 -0.124638D+02  0.416077D+01 -0.431849D+00
      4  -0.202606D+02  0.130036D+02 -0.249995D+02  0.105399D+02 -0.327793D+01
      5   0.165222D+01 -0.129088D+02  0.416669D+01 -0.148448D+01 -0.144033D+01
      6  -0.504882D+01  0.117911D+02 -0.539200D+01  0.221584D+01  0.495833D+01
               101           102           103           104           105 
      1  -0.386981D+01 -0.107399D+02 -0.217687D+01  0.153391D+02  0.290833D+01
      2   0.545223D+01  0.200247D+02  0.377533D+00 -0.225233D+02 -0.136744D+02
      3  -0.158242D+01 -0.928477D+01  0.179934D+01  0.718423D+01  0.107661D+02
      4  -0.691022D+01  0.324035D+00 -0.273983D+01  0.102731D+02  0.201761D+02
      5  -0.338498D+01 -0.108802D+01 -0.353537D+01  0.875906D+01  0.418411D+01
      6   0.178611D+02 -0.343689D+01  0.173419D+02 -0.188740D+02 -0.111451D+02
               106           107           108           109           110 
      1  -0.140261D+02  0.760369D+01  0.980544D+01  0.275951D+01  0.472356D+01
      2   0.222575D+02 -0.180144D+02 -0.133334D+02 -0.224065D+01 -0.386207D+01
      3  -0.823138D+01  0.104107D+02  0.352798D+01 -0.518856D+00 -0.861496D+00
      4   0.177680D+01  0.242838D+02 -0.136371D+01 -0.719575D+01  0.115745D+01
      5  -0.453610D+00  0.362099D+01  0.108162D+01 -0.276729D+01 -0.285195D+01
      6  -0.394358D+01 -0.163026D+02 -0.113690D+01 -0.649506D+01 -0.808702D+01
               111           112           113           114           115 
      1   0.103161D+01  0.437956D+01 -0.978238D+01 -0.470773D+01  0.196955D+01
      2  -0.108259D+02 -0.460937D+00  0.110484D+02  0.739224D+01 -0.988923D+01
      3   0.979428D+01 -0.391863D+01 -0.126599D+01 -0.268452D+01  0.791967D+01
      4  -0.232551D+01 -0.260606D+01 -0.134197D+02 -0.115762D+02 -0.254236D+01
      5  -0.306296D+01 -0.186194D+01 -0.160960D+01 -0.276744D+01 -0.194844D+01
      6   0.224327D+00 -0.890444D+01  0.115977D+02  0.583160D+01  0.168795D+01
               116           117           118           119           120 
      1  -0.260475D+01  0.790964D+00  0.313915D+02 -0.244200D+01  0.103105D+02
      2   0.237298D+01  0.589247D+01 -0.178463D+02  0.511336D+01 -0.729591D+01
      3   0.231769D+00 -0.668343D+01 -0.135452D+02 -0.267136D+01 -0.301462D+01
      4  -0.623693D+01  0.131238D+01  0.158612D+02  0.733617D+01  0.322159D+01
      5  -0.177481D+01  0.521014D+01  0.104651D+02 -0.176046D+01  0.946974D+01
      6   0.339733D+01 -0.396296D+01  0.504586D+01 -0.692559D+00  0.533985D+01
               121           122           123           124           125 
      1  -0.844402D+01  0.634878D+01 -0.414475D+01  0.170494D+02 -0.312798D+01
      2   0.740872D+01 -0.569274D+01  0.259370D+01 -0.125073D+02  0.451070D+01
      3   0.103530D+01 -0.656039D+00  0.155105D+01 -0.454214D+01 -0.138272D+01
      4   0.343965D+01 -0.425706D+00 -0.923202D-03  0.739673D+01  0.209530D+01
      5  -0.335133D+01  0.227247D+01 -0.222018D+01  0.131628D+02  0.185344D+00
      6  -0.165470D+01  0.580165D+00  0.283690D+00  0.757595D+01  0.197519D+01
               126           127           128           129           130 
      1   0.913025D+01  0.141177D+02  0.660338D+01 -0.361211D+01  0.273430D+01
      2  -0.763535D+01 -0.713105D-01  0.445194D+01 -0.821685D+00  0.100268D+02
      3  -0.149490D+01 -0.140463D+02 -0.110553D+02  0.443380D+01 -0.127611D+02
      4   0.563363D+01  0.279114D+02  0.226932D+02 -0.121223D+02  0.250925D+02
      5   0.122696D+02 -0.109716D+02 -0.900974D+01  0.986177D+01 -0.871166D+01
      6   0.777283D+01 -0.106975D+02 -0.923727D+01  0.822732D+01 -0.115812D+02
               131           132           133           134           135 
      1  -0.618187D+01  0.127006D+01 -0.270914D+01  0.145889D+01 -0.660118D-02
      2   0.232563D+02 -0.702450D+01 -0.305146D+01 -0.811135D+01  0.208453D+01
      3  -0.170745D+02  0.575443D+01  0.576060D+01  0.665246D+01 -0.207793D+01
      4   0.316561D+02 -0.141504D+02 -0.190929D+02 -0.196693D+02  0.165980D+02
      5  -0.110008D+02  0.791213D+01  0.145629D+02  0.118323D+02 -0.145846D+02
      6  -0.166250D+02  0.124861D+02  0.141262D+02  0.163996D+02 -0.171353D+02
               136           137           138           139           140 
      1  -0.516461D+01  0.854392D+01 -0.372226D+01  0.489235D+01 -0.155236D+02
      2   0.795210D+01 -0.154162D+02  0.622767D+01 -0.814872D+01  0.257794D+02
      3  -0.278749D+01  0.687226D+01 -0.250541D+01  0.325637D+01 -0.102558D+02
      4  -0.146461D+02  0.811897D+01 -0.601365D+01  0.636681D+01 -0.487774D+01
      5   0.148008D+01 -0.348220D+00  0.148438D+01 -0.370885D+00  0.924382D+00
      6  -0.750259D+01  0.656331D+01 -0.750476D+01  0.447818D+01 -0.716791D+01
               141           142           143           144           145 
      1   0.460947D+01 -0.642673D+01  0.974189D+01 -0.843868D+01 -0.173519D+01
      2  -0.631379D+01  0.707652D+01 -0.139623D+02  0.921757D+01  0.803609D+01
      3   0.170433D+01 -0.649787D+00  0.422044D+01 -0.778890D+00 -0.630090D+01
      4   0.377196D+01 -0.877612D+01  0.579890D+01 -0.497645D+01  0.118753D+02
      5   0.397870D+00  0.182455D+01  0.508594D+00 -0.238241D+00  0.328604D+01
      6   0.826182D+01 -0.702616D+01  0.137149D+02 -0.152913D+02  0.542639D+01
               146           147           148           149           150 
      1  -0.251419D+01 -0.177734D+01 -0.372755D+01 -0.318546D+02 -0.110534D+02
      2   0.110382D+02  0.453067D+01  0.106066D+02  0.590953D+02  0.180520D+02
      3  -0.852398D+01 -0.275333D+01 -0.687909D+01 -0.272407D+02 -0.699864D+01
      4   0.183977D+02  0.628999D+01  0.131019D+02  0.250058D+02  0.911208D+01
      5   0.515169D+01  0.448398D+01  0.310924D+01  0.868251D+01  0.500738D+01
      6   0.771551D+01  0.458630D+01  0.690135D+01  0.258104D+02  0.167931D+02
               151           152           153           154           155 
      1  -0.293474D+01 -0.168921D+02 -0.121185D+02 -0.526856D+01 -0.857586D+01
      2   0.581951D+01  0.257628D+02  0.148368D+02  0.806072D+01  0.154413D+02
      3  -0.288476D+01 -0.887071D+01 -0.271828D+01 -0.279216D+01 -0.686544D+01
      4   0.680249D+01  0.146800D+02  0.855042D+01  0.145115D+02  0.812314D+01
      5   0.435987D+01  0.780561D+01  0.679729D+01 -0.142332D+01 -0.332651D+00
      6   0.563572D+01  0.250676D+02  0.194340D+02 -0.742138D+01 -0.658653D+01
               156           157           158           159           160 
      1   0.376247D+01 -0.490464D+01 -0.156984D+02  0.464189D+01  0.647197D+01
      2  -0.628578D+01  0.813872D+01  0.260677D+02 -0.636478D+01 -0.713402D+01
      3   0.252330D+01 -0.323407D+01 -0.103693D+02  0.172289D+01  0.662044D+00
      4  -0.592991D+01  0.639864D+01  0.478506D+01 -0.376134D+01 -0.867139D+01
      5   0.144690D+01 -0.360000D+00 -0.884738D+00 -0.429176D+00  0.178726D+01
      6   0.744634D+01 -0.449453D+01 -0.720287D+01  0.830886D+01  0.694009D+01
               161           162           163           164           165 
      1   0.981408D+01 -0.847251D+01 -0.166112D+01  0.249817D+01  0.178141D+01
      2  -0.140636D+02  0.929633D+01  0.801253D+01 -0.110926D+02 -0.457257D+01
      3   0.424947D+01 -0.823819D+00 -0.635141D+01  0.859447D+01  0.279116D+01
      4  -0.575751D+01  0.487400D+01 -0.120617D+02  0.185086D+02  0.638987D+01
      5  -0.557483D+00  0.302327D+00 -0.336739D+01  0.523037D+01  0.455113D+01
      6   0.137579D+02 -0.152331D+02  0.550915D+01 -0.782263D+01 -0.468199D+01
               166           167           168           169           170 
      1   0.373708D+01 -0.315204D+02 -0.109804D+02  0.295382D+01 -0.167809D+02
      2  -0.106758D+02  0.585630D+02  0.179509D+02 -0.587605D+01  0.256180D+02
      3   0.693874D+01 -0.270426D+02 -0.697046D+01  0.292223D+01 -0.883710D+01
      4   0.131951D+02 -0.251759D+02 -0.922021D+01  0.692947D+01 -0.148576D+02
      5   0.317164D+01 -0.876650D+01 -0.507259D+01  0.443778D+01 -0.791999D+01
      6  -0.699237D+01  0.257430D+02  0.167930D+02 -0.575887D+01  0.250779D+02
               171           172           173           174           175 
      1  -0.120835D+02  0.315083D+02  0.248778D+01 -0.102958D+02  0.850005D+01
      2   0.147750D+02 -0.179504D+02 -0.510661D+01  0.729780D+01 -0.741269D+01
      3  -0.269143D+01 -0.135578D+02  0.261883D+01  0.299797D+01 -0.108736D+01
      4  -0.869978D+01 -0.157063D+02  0.730047D+01  0.313412D+01  0.343104D+01
      5  -0.691777D+01 -0.104438D+02 -0.179893D+01  0.945752D+01 -0.337858D+01
      6   0.195127D+02  0.498437D+01  0.705844D+00 -0.528861D+01  0.166069D+01
               176           177           178           179           180 
      1   0.647808D+01 -0.420959D+01 -0.170357D+02 -0.323535D+01  0.916748D+01
      2  -0.587667D+01  0.266840D+01  0.125133D+02  0.462635D+01 -0.770386D+01
      3  -0.601405D+00  0.154120D+01  0.452238D+01 -0.139100D+01 -0.146362D+01
      4   0.675055D+00 -0.702283D-01  0.724672D+01 -0.217259D+01 -0.548865D+01
      5  -0.239456D+01  0.231424D+01  0.131492D+02 -0.479830D-01 -0.122966D+02
      6   0.596777D+00  0.245158D+00 -0.750154D+01  0.191289D+01  0.770621D+01
               181           182           183           184           185 
      1   0.143643D+02 -0.669439D+01  0.369009D+01 -0.284283D+01 -0.598597D+01
      2  -0.203961D+00 -0.440589D+01  0.775057D+00 -0.995540D+01  0.230184D+02
      3  -0.141604D+02  0.111003D+02 -0.446515D+01  0.127982D+02 -0.170324D+02
      4  -0.280624D+02  0.227510D+02 -0.121733D+02  0.251678D+02 -0.316374D+02
      5   0.110654D+02 -0.905538D+01  0.990940D+01 -0.875804D+01  0.109896D+02
      6  -0.107290D+02  0.923221D+01 -0.822750D+01  0.115735D+02 -0.165046D+02
               186           187           188           189           190 
      1   0.117020D+01  0.283221D+01  0.131538D+01  0.111327D+00  0.198026D+02
      2  -0.691578D+01  0.295525D+01 -0.794865D+01  0.197427D+01 -0.161353D+02
      3   0.574558D+01 -0.578746D+01  0.663327D+01 -0.208560D+01 -0.366731D+01
      4   0.141343D+02 -0.191518D+02  0.196196D+02 -0.165832D+02  0.152435D+01
      5  -0.791608D+01  0.146321D+02 -0.118219D+02  0.146155D+02  0.150803D+02
      6   0.124200D+02 -0.141140D+02  0.162920D+02 -0.170520D+02  0.821606D+00
               191           192           193           194           195 
      1   0.528903D+01  0.735652D+01  0.781590D+01  0.553271D+01  0.362620D+01
      2  -0.700335D+01 -0.896393D+01 -0.865772D+01 -0.631061D+01 -0.578724D+01
      3   0.171432D+01  0.160741D+01  0.841814D+00  0.777892D+00  0.216103D+01
      4   0.606654D+01  0.178689D+01  0.130650D+01  0.720538D+01  0.825789D+00
      5   0.465905D+01  0.101305D+02  0.106324D+02  0.320760D+01  0.711975D+01
      6   0.141992D+01 -0.541369D+00  0.990145D+00  0.283680D+01  0.341186D+00
               196           197           198           199           200 
      1   0.325542D+01  0.127440D+01  0.200666D+01 -0.254732D+01 -0.226339D+01
      2  -0.653383D+01 -0.203959D+01 -0.779412D+01 -0.154378D+01  0.127320D+01
      3   0.327841D+01  0.765191D+00  0.578746D+01  0.409110D+01  0.990195D+00
      4   0.292042D+01  0.508797D+00  0.202271D+01  0.587852D+01 -0.270654D+01
      5   0.760279D+01  0.354941D+01  0.855149D+01 -0.238262D+01  0.209524D+01
      6   0.436914D+00  0.135829D+01 -0.556373D+00 -0.897776D-01 -0.309181D+01
               201           202           203           204           205 
      1   0.688632D+01 -0.532594D+00 -0.494970D+01  0.605452D+01  0.268837D+01
      2   0.109220D+01 -0.422611D+00  0.203289D+01 -0.884041D+00 -0.133642D+01
      3  -0.797852D+01  0.955205D+00  0.291681D+01 -0.517048D+01 -0.135195D+01
      4   0.322707D+00  0.135254D+01 -0.171595D+01  0.470669D+00 -0.295161D+01
      5  -0.257090D+00  0.380721D+00  0.939616D+00 -0.174043D+01  0.410884D+01
      6   0.560729D+01 -0.552736D+00 -0.578261D+01  0.847289D+01 -0.169217D+00
               206           207           208           209           210 
      1   0.526930D+01 -0.175029D+02 -0.436683D+00 -0.683371D+01 -0.424639D+01
      2  -0.192622D+00 -0.109916D+02  0.425969D-01  0.884410D+01  0.173714D+01
      3  -0.507668D+01  0.284945D+02  0.394086D+00 -0.201038D+01  0.250926D+01
      4   0.291465D+01  0.635427D+00  0.173968D+02  0.715061D+01  0.791660D+01
      5  -0.208419D+01  0.107783D+02  0.888575D+01  0.544709D+01  0.546347D+01
      6   0.704619D+01 -0.167450D+02  0.936181D+01  0.104894D+02  0.975175D+01
               211           212           213           214           215 
      1  -0.186315D+01 -0.299680D+01 -0.164896D+01 -0.163286D+01 -0.121123D+01
      2   0.273422D+01  0.656743D+01  0.124937D+01 -0.666452D+00 -0.136224D+01
      3  -0.871064D+00 -0.357064D+01  0.399587D+00  0.229931D+01  0.257347D+01
      4   0.757494D+01  0.755875D+01  0.473204D+01  0.432815D+01  0.393222D+01
      5   0.297457D+01  0.299227D+01  0.223863D+01  0.456168D+01  0.213286D+01
      6   0.524457D+01  0.475786D+01  0.509325D+01  0.539004D+01  0.463324D+01
               216           217           218           219           220 
      1  -0.374597D+01 -0.493602D+00  0.306910D+01  0.231072D+01  0.213537D+00
      2  -0.192277D+01 -0.348598D+01 -0.399555D+01  0.602920D+01 -0.128146D+01
      3   0.566874D+01  0.397958D+01  0.926454D+00 -0.833992D+01  0.106793D+01
      4   0.529185D+01 -0.349513D+01  0.412946D+01  0.423397D+01  0.512192D+00
      5   0.358020D+01 -0.474570D+01  0.170648D+01  0.808233D+01  0.306875D+00
      6   0.800437D+01  0.422210D+01 -0.287164D+01 -0.678396D+01 -0.680745D-01
               221           222           223           224           225 
      1   0.270536D+01  0.158897D+01  0.171286D+01 -0.446870D+01 -0.113812D+02
      2  -0.563439D+01  0.230964D+01  0.348594D+01  0.294627D+01 -0.157186D+02
      3   0.292903D+01 -0.389861D+01 -0.519880D+01  0.152242D+01  0.270998D+02
      4   0.192253D+01  0.700632D+00  0.352083D+01 -0.177152D+01 -0.265504D+01
      5  -0.134754D+01  0.901536D+00  0.550944D+01 -0.101693D+01 -0.948179D+01
      6  -0.204086D+01  0.562306D+00 -0.311884D+01  0.593345D+01  0.179444D+02
               226           227           228           229           230 
      1  -0.790662D+00 -0.390506D+00 -0.136393D+01 -0.553518D+01 -0.114146D+02
      2   0.428115D+01 -0.224123D+01  0.172010D+01  0.150577D+01  0.207268D+02
      3  -0.349049D+01  0.263174D+01 -0.356167D+00  0.402941D+01 -0.931214D+01
      4  -0.287688D+01  0.528823D+01  0.286095D+00  0.803318D+01 -0.203616D+02
      5  -0.156148D+01 -0.307096D+00 -0.902651D-01 -0.458750D+01  0.258230D+01
      6   0.420756D+00  0.498470D+00 -0.142965D+00  0.350713D+01 -0.117591D+02
               231           232           233           234           235 
      1   0.156329D+01 -0.510093D+01  0.203954D+01 -0.399665D+01 -0.272678D+01
      2  -0.106777D+00  0.351488D+01  0.935054D+00  0.228034D+01 -0.615334D-01
      3  -0.145651D+01  0.158605D+01 -0.297460D+01  0.171631D+01  0.278831D+01
      4   0.398056D+01  0.176738D+01 -0.206054D+01 -0.184608D+01  0.100204D+01
      5  -0.443954D+01 -0.127981D+01 -0.177524D+01 -0.331276D-01  0.487089D-01
      6   0.520131D+01  0.174158D+00  0.264114D+01 -0.182741D+01  0.128070D+01
               236           237           238           239           240 
      1   0.889099D+00  0.341709D+01  0.351809D+01 -0.341049D+01  0.104736D+01
      2  -0.161586D+01  0.954906D+00 -0.361252D+01  0.692531D+00 -0.315138D+01
      3   0.726758D+00 -0.437200D+01  0.944281D-01  0.271796D+01  0.210402D+01
      4  -0.500118D+00  0.156406D+00  0.724885D+00 -0.862084D+00  0.222215D+01
      5   0.125504D+01  0.175962D+01  0.180684D+01  0.149091D+01  0.168627D+01
      6  -0.747431D+00  0.176344D+01  0.394440D-01 -0.187315D+01  0.442436D+01
               241           242           243           244           245 
      1   0.397536D+01  0.369487D+01 -0.200201D+02 -0.304032D+00  0.684102D+01
      2  -0.550477D+01  0.610648D+00 -0.154547D+02 -0.969942D-01 -0.887020D+01
      3   0.152941D+01 -0.430552D+01  0.354748D+02  0.401026D+00  0.202917D+01
      4  -0.147968D+01  0.332742D+01 -0.245367D+01 -0.174578D+02  0.718503D+01
      5   0.641836D+01 -0.362413D+01  0.207857D+02 -0.897808D+01  0.544850D+01
      6  -0.129206D+01  0.520331D+01 -0.966627D+01  0.939520D+01 -0.104721D+02
               246           247           248           249           250 
      1   0.419079D+01  0.185032D+01 -0.289689D+01 -0.161337D+01  0.159921D+01
      2  -0.167689D+01 -0.274043D+01  0.645015D+01  0.121769D+01  0.710954D+00
      3  -0.251389D+01  0.890104D+00 -0.355327D+01  0.395674D+00 -0.231016D+01
      4   0.796994D+01  0.755524D+01 -0.754371D+01 -0.471908D+01  0.435442D+01
      5   0.552078D+01  0.295866D+01 -0.298865D+01 -0.223306D+01  0.459878D+01
      6  -0.976284D+01 -0.522682D+01  0.469012D+01  0.506287D+01 -0.539485D+01
               251           252           253           254           255 
      1  -0.119900D+01 -0.372075D+01 -0.500764D+00 -0.311560D+01 -0.235192D+01
      2  -0.137669D+01 -0.195446D+01 -0.348918D+01  0.403127D+01 -0.601531D+01
      3   0.257569D+01  0.567521D+01  0.398994D+01 -0.915675D+00  0.836723D+01
      4  -0.392177D+01 -0.530335D+01  0.350279D+01  0.412908D+01  0.426968D+01
      5  -0.213137D+01 -0.361284D+01  0.474038D+01  0.172026D+01  0.808081D+01
      6   0.462789D+01  0.801499D+01  0.424551D+01  0.291084D+01  0.684396D+01
               256           257           258           259           260 
      1  -0.233349D+00  0.270772D+01  0.157224D+01 -0.172734D+01 -0.450099D+01
      2   0.129782D+01 -0.562144D+01  0.226989D+01 -0.348199D+01  0.293865D+01
      3  -0.106447D+01  0.291372D+01 -0.384213D+01  0.520933D+01  0.156235D+01
      4   0.535319D+00 -0.186440D+01 -0.684320D+00  0.353592D+01  0.176669D+01
      5   0.320001D+00  0.136404D+01 -0.869627D+00  0.550565D+01  0.102701D+01
      6   0.964736D-01 -0.200632D+01  0.599539D+00  0.313739D+01  0.597275D+01
               261           262           263           264           265 
      1  -0.113991D+02  0.199127D+02 -0.527819D+01 -0.737949D+01 -0.778048D+01
      2  -0.156693D+02 -0.161886D+02  0.694013D+01  0.898979D+01  0.857732D+01
      3   0.270683D+02 -0.372409D+01 -0.166193D+01 -0.161030D+01 -0.796840D+00
      4   0.269719D+01 -0.146537D+01  0.617637D+01  0.168095D+01  0.134318D+01
      5   0.944245D+01 -0.150822D+02  0.454415D+01  0.101363D+02  0.105357D+02
      6   0.180169D+02  0.784419D+00 -0.139413D+01  0.556530D+00 -0.953708D+00
               266           267           268           269           270 
      1   0.550008D+01  0.362630D+01 -0.327183D+01  0.128497D+01  0.201443D+01
      2  -0.609392D+01 -0.582378D+01  0.654007D+01 -0.209683D+01 -0.770736D+01
      3   0.593843D+00  0.219748D+01 -0.326823D+01  0.811866D+00  0.569293D+01
      4  -0.747970D+01 -0.622673D+00  0.287217D+01 -0.312029D+00 -0.207171D+01
      5  -0.294162D+01 -0.715383D+01  0.759045D+01 -0.362364D+01 -0.842594D+01
      6   0.275504D+01  0.339107D+00 -0.431049D+00  0.136562D+01 -0.585332D+00
               271           272           273           274           275 
      1  -0.250337D+01  0.226162D+01 -0.688083D+01  0.516957D+00 -0.492101D+01
      2  -0.159125D+01 -0.129699D+01 -0.109434D+01  0.421418D+00  0.200604D+01
      3   0.409462D+01 -0.964629D+00  0.797518D+01 -0.938375D+00  0.291497D+01
      4  -0.586222D+01 -0.272323D+01  0.311906D+00  0.131409D+01  0.169988D+01
      5   0.236099D+01  0.210150D+01 -0.243940D+00  0.398075D+00 -0.924771D+00
      6  -0.790051D-01  0.308757D+01 -0.559630D+01  0.557754D+00 -0.573065D+01
               276           277           278           279           280 
      1   0.599664D+01 -0.266755D+01  0.523995D+01 -0.174959D+02  0.613395D+01
      2  -0.880789D+00  0.133291D+01 -0.206455D+00 -0.110684D+02 -0.321082D+01
      3  -0.511585D+01  0.133464D+01 -0.503350D+01  0.285643D+02 -0.292314D+01
      4  -0.464365D+00 -0.296686D+01 -0.292153D+01 -0.652102D+00  0.428892D+01
      5   0.171358D+01  0.412260D+01  0.207875D+01 -0.108009D+02  0.765211D+01
      6   0.841869D+01  0.188653D+00  0.702238D+01 -0.167480D+02  0.200695D+01
               281           282           283           284           285 
      1   0.330357D+01  0.646651D+01  0.755048D+01 -0.513974D+00 -0.192885D+01
      2  -0.115150D+01 -0.353615D+01 -0.379606D+01  0.354464D+01 -0.418339D+00
      3  -0.215207D+01 -0.293035D+01 -0.375443D+01 -0.303067D+01  0.234719D+01
      4   0.517125D+01  0.182172D+01  0.114623D+02  0.241215D+02  0.122159D+02
      5   0.239266D+01  0.485408D+01  0.627605D+01  0.130434D+02  0.143552D+02
      6   0.839804D+00  0.720042D+00  0.425768D+01  0.117526D+02  0.821249D+01
               286           287           288           289           290 
      1   0.801243D+01 -0.187119D+01 -0.925792D+00  0.640125D+02 -0.160782D+02
      2  -0.593152D+01 -0.919596D+00 -0.372682D+01 -0.350969D+02  0.779278D+01
      3  -0.208091D+01  0.279079D+01  0.465262D+01 -0.289156D+02  0.828538D+01
      4   0.352759D+01  0.889817D+01  0.877255D+01 -0.209768D+02  0.130887D+02
      5   0.845761D+01  0.922548D+01  0.132795D+02  0.267096D+02 -0.713261D+01
      6   0.222186D+01  0.742945D+01  0.679988D+01 -0.454292D+01  0.299722D+01
               291           292           293           294           295 
      1   0.165051D+02 -0.256251D+02  0.125297D+02 -0.687772D+01  0.145749D+02
      2  -0.106736D+02  0.127715D+02 -0.515275D+01  0.463428D+01 -0.113580D+02
      3  -0.583151D+01  0.128536D+02 -0.737692D+01  0.224344D+01 -0.321694D+01
      4  -0.612713D+01  0.199026D+02 -0.133834D+02  0.871952D+01 -0.574392D+01
      5   0.167385D+02 -0.121925D+02  0.967170D+01 -0.767902D+01  0.205689D+02
      6  -0.192151D+01  0.534456D+01 -0.346258D+01  0.424747D+01 -0.307665D+01
               296           297           298           299           300 
      1  -0.363440D+01  0.115009D+02  0.637721D+02  0.162141D+02 -0.163850D+02
      2   0.326596D+01 -0.941386D+01 -0.348573D+02 -0.781564D+01  0.105614D+02
      3   0.368440D+00 -0.208700D+01 -0.289149D+02 -0.839844D+01  0.582363D+01
      4   0.578973D+01 -0.560207D+01  0.212771D+02  0.132466D+02 -0.617820D+01
      5  -0.596061D+01  0.128556D+02 -0.265188D+02 -0.716229D+01  0.166338D+02
      6   0.369812D+01 -0.273581D+01 -0.459465D+01 -0.302271D+01  0.195829D+01
               301           302           303           304           305 
      1   0.257405D+02  0.126286D+02 -0.686098D+01 -0.144640D+02 -0.363281D+01
      2  -0.127528D+02 -0.513250D+01  0.459466D+01  0.112450D+02  0.325237D+01
      3  -0.129877D+02 -0.749606D+01  0.226632D+01  0.321896D+01  0.380443D+00
      4   0.201227D+02  0.136074D+02 -0.876842D+01 -0.580370D+01 -0.582771D+01
      5  -0.122015D+02 -0.970898D+01  0.770493D+01  0.204673D+02  0.601248D+01
      6  -0.538140D+01 -0.351968D+01  0.426744D+01  0.313356D+01  0.372432D+01
               306           307           308           309           310 
      1   0.114348D+02  0.620409D+01 -0.338276D+01 -0.645986D+01 -0.770708D+01
      2  -0.932832D+01 -0.320900D+01  0.122019D+01  0.353837D+01  0.392462D+01
      3  -0.210645D+01 -0.299508D+01  0.216257D+01  0.292149D+01  0.378246D+01
      4   0.567418D+01 -0.432747D+01  0.527968D+01  0.184590D+01  0.115736D+02
      5  -0.127588D+02 -0.766592D+01  0.245943D+01  0.491609D+01  0.638055D+01
      6  -0.277240D+01  0.201099D+01 -0.877645D+00 -0.746248D+00 -0.428577D+01
               311           312           313           314           315 
      1  -0.325929D+00 -0.179678D+01 -0.802927D+01 -0.179580D+01 -0.828753D+00
      2   0.338729D+01 -0.521733D+00  0.595462D+01 -0.977521D+00 -0.379058D+01
      3  -0.306136D+01  0.231851D+01  0.207465D+01  0.277332D+01  0.461934D+01
      4  -0.241190D+02 -0.122269D+02  0.352917D+01 -0.889836D+01 -0.877237D+01
      5  -0.130553D+02 -0.143874D+02  0.851363D+01 -0.923332D+01 -0.133056D+02
      6   0.116697D+02  0.813978D+01 -0.223540D+01  0.737695D+01  0.673836D+01
               316           317           318           319           320 
      1  -0.268693D+01 -0.895199D+00 -0.340301D+01 -0.353619D+01 -0.342077D+01
      2  -0.945632D-01  0.160952D+01 -0.935479D+00  0.363317D+01  0.707194D+00
      3   0.278150D+01 -0.714322D+00  0.433849D+01 -0.969814D-01  0.271357D+01
      4  -0.101378D+01 -0.516970D+00  0.157662D+00  0.690952D+00  0.833215D+00
      5  -0.740951D-01  0.125735D+01  0.178750D+01  0.182746D+01 -0.147506D+01
      6   0.128807D+01  0.752587D+00 -0.175772D+01 -0.237384D-01 -0.185047D+01
               321           322           323           324           325 
      1   0.101463D+01 -0.396384D+01  0.366138D+01 -0.200102D+02 -0.842970D+00
      2  -0.318913D+01  0.550867D+01  0.596036D+00 -0.154791D+02  0.428304D+01
      3   0.217449D+01 -0.154483D+01 -0.425742D+01  0.354893D+02 -0.344007D+01
      4  -0.220972D+01 -0.149838D+01 -0.332245D+01  0.241772D+01  0.282531D+01
      5  -0.173805D+01  0.642666D+01  0.360647D+01 -0.208138D+02  0.157195D+01
      6   0.439813D+01  0.130007D+01  0.519761D+01 -0.967215D+01  0.416452D+00
               326           327           328           329           330 
      1   0.390135D+00  0.134680D+01  0.550695D+01 -0.115484D+02  0.163556D+01
      2   0.222539D+01 -0.170057D+01 -0.147830D+01  0.208255D+02 -0.197868D+00
      3  -0.261552D+01  0.353769D+00 -0.402864D+01 -0.927709D+01 -0.143769D+01
      4   0.517851D+01  0.294427D+00  0.795837D+01  0.203384D+02 -0.399052D+01
      5  -0.288800D+00 -0.988784D-01 -0.456383D+01 -0.260564D+01  0.442679D+01
      6  -0.433263D+00  0.132319D+00 -0.346227D+01 -0.118651D+02  0.523418D+01
               331           332           333 
      1   0.507054D+01  0.206905D+01 -0.401227D+01
      2  -0.348962D+01  0.892996D+00  0.227562D+01
      3  -0.158093D+01 -0.296205D+01  0.173665D+01
      4   0.177195D+01  0.204410D+01  0.183536D+01
      5  -0.126849D+01  0.176160D+01  0.140688D-01
      6  -0.175592D+00  0.265961D+01 -0.185328D+01
 Leave Link  716 at Fri Jul  9 04:20:47 2021, MaxMem= 10737418240 cpu:               3.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154454D+03 -0.147843D-03 -0.194925D-02
      2  -0.147843D-03  0.152996D+03  0.818091D-01
      3  -0.194925D-02  0.818091D-01  0.122213D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.863768D+00 -0.466843D-01  0.259080D-02
      2  -0.210701D-01  0.490432D+01 -0.210515D+01
      3  -0.183184D-01 -0.172886D+01 -0.652351D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.854936D+02 -0.504063D+00  0.182719D-01
      2   0.917822D+02  0.535405D+00  0.119755D-01
      3  -0.628862D+01 -0.313418D-01 -0.302474D-01
      4  -0.523532D+00  0.945711D+02 -0.489103D+01
      5  -0.644889D-01  0.195898D+01 -0.947327D+01
      6  -0.101807D+02 -0.733067D-01 -0.542277D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.342097D+01 -0.384515D+01  0.308013D+01 -0.575388D+01  0.121794D+01
      2  -0.384515D+01  0.736240D+00 -0.414226D+00  0.121794D+01  0.274911D+01
      3   0.308013D+01 -0.414226D+00  0.717041D+00 -0.123025D+01  0.285019D+01
                 6             7             8             9            10 
      1  -0.123025D+01  0.263243D+01 -0.705564D+00  0.996656D+00  0.336409D+01
      2   0.285019D+01 -0.705564D+00  0.222086D+01  0.709388D+00  0.384506D+01
      3   0.626175D+00  0.996656D+00  0.709388D+00 -0.735764D+00 -0.306843D+01
                11            12            13            14            15 
      1   0.384506D+01 -0.306843D+01  0.576041D+01  0.128042D+01 -0.122038D+01
      2   0.790159D+00 -0.403868D+00  0.128042D+01 -0.273616D+01 -0.285444D+01
      3  -0.403868D+00  0.704556D+00 -0.122038D+01 -0.285444D+01 -0.623485D+00
                16            17            18            19            20 
      1  -0.262274D+01 -0.696022D+00  0.989107D+00 -0.746859D+01 -0.437111D+01
      2  -0.696022D+00 -0.222411D+01 -0.704817D+00 -0.437111D+01 -0.124201D+01
      3   0.989107D+00 -0.704817D+00  0.736713D+00  0.460308D+01  0.118190D+01
                21            22            23            24            25 
      1   0.460308D+01 -0.179622D+01 -0.492754D+00  0.177677D+00  0.299315D+01
      2   0.118190D+01 -0.492754D+00  0.165173D+01  0.131950D+01  0.103573D+01
      3  -0.190717D+01  0.177677D+00  0.131950D+01 -0.722264D+00 -0.177404D+01
                26            27            28            29            30 
      1   0.103573D+01 -0.177404D+01  0.139438D+01  0.621056D-02  0.785176D-02
      2   0.171376D+01 -0.929721D+00  0.621056D-02 -0.156180D+01 -0.158744D+01
      3  -0.929721D+00 -0.169863D+01  0.785176D-02 -0.158744D+01  0.204148D+00
                31            32            33            34            35 
      1   0.294776D-02 -0.159514D+01  0.178095D+01  0.122731D-01 -0.105108D+00
      2  -0.159514D+01 -0.973029D-02 -0.918844D-03 -0.105108D+00  0.126631D-01
      3   0.178095D+01 -0.918844D-03  0.348001D-03  0.153749D+00  0.627638D-04
                36            37            38            39            40 
      1   0.153749D+00  0.441532D+01  0.351284D+01 -0.162400D+01  0.537078D+01
      2   0.627638D-04  0.351284D+01  0.106751D+01 -0.288409D+01  0.281910D+01
      3   0.318952D-02 -0.162400D+01 -0.288409D+01  0.174231D+01 -0.343708D+01
                41            42            43            44            45 
      1   0.281910D+01 -0.343708D+01 -0.136689D+01 -0.192889D+01  0.223652D+01
      2   0.249709D+01 -0.242471D+01 -0.192889D+01 -0.144270D+01 -0.204428D+00
      3  -0.242471D+01  0.398225D+00  0.223652D+01 -0.204428D+00  0.660100D+00
                46            47            48            49            50 
      1  -0.252445D+01 -0.959263D+00 -0.392455D+00 -0.183604D+01 -0.183221D+01
      2  -0.959263D+00 -0.803133D+00  0.313493D+01 -0.183221D+01 -0.916892D+00
      3  -0.392455D+00  0.313493D+01 -0.176092D+01  0.311943D+01  0.249717D+01
                51            52            53            54            55 
      1   0.311943D+01  0.125822D+00  0.448615D+01 -0.272711D+01  0.612542D+00
      2   0.249717D+01  0.448615D+01  0.327471D+01 -0.757423D+00 -0.610359D+00
      3  -0.126943D+00 -0.272711D+01 -0.757423D+00  0.329124D+00  0.102123D+01
                56            57            58            59            60 
      1  -0.610359D+00  0.102123D+01 -0.199548D+00 -0.229045D+00 -0.280620D+01
      2  -0.145977D+01 -0.273140D+01 -0.229045D+00 -0.444469D+01 -0.308210D+01
      3  -0.273140D+01  0.891102D+00 -0.280620D+01 -0.308210D+01 -0.137179D+01
                61            62            63            64            65 
      1   0.154401D+01 -0.348903D+01  0.844126D+00  0.122588D+01  0.420135D-01
      2  -0.348903D+01 -0.474150D+01 -0.245291D+01  0.420135D-01  0.298040D+01
      3   0.844126D+00 -0.245291D+01 -0.184085D+00 -0.647579D+00  0.215079D+01
                66            67            68            69            70 
      1  -0.647579D+00 -0.530655D+00  0.522049D+00  0.162795D+01 -0.412872D+00
      2   0.215079D+01  0.522049D+00  0.962189D+01  0.442761D+01  0.105576D+01
      3  -0.607422D+00  0.162795D+01  0.442761D+01  0.147014D+01 -0.131069D+01
                71            72            73            74            75 
      1   0.105576D+01 -0.131069D+01 -0.750090D+01  0.435832D+01 -0.460838D+01
      2   0.302021D+01  0.172405D+01  0.435832D+01 -0.120310D+01  0.117996D+01
      3   0.172405D+01 -0.647362D+00 -0.460838D+01  0.117996D+01 -0.192351D+01
                76            77            78            79            80 
      1   0.177566D+01 -0.463114D+00  0.169473D+00 -0.300531D+01  0.104375D+01
      2  -0.463114D+00 -0.165590D+01 -0.132375D+01  0.104375D+01 -0.171903D+01
      3   0.169473D+00 -0.132375D+01  0.705969D+00 -0.179162D+01  0.917073D+00
                81            82            83            84            85 
      1  -0.179162D+01  0.445055D+01 -0.350592D+01  0.163706D+01 -0.536890D+01
      2   0.917073D+00 -0.350592D+01  0.106244D+01 -0.289988D+01  0.280971D+01
      3   0.169686D+01  0.163706D+01 -0.289988D+01  0.173754D+01 -0.345437D+01
                86            87            88            89            90 
      1   0.280971D+01 -0.345437D+01  0.136550D+01 -0.194284D+01  0.223251D+01
      2  -0.247224D+01  0.239100D+01 -0.194284D+01  0.141464D+01  0.216262D+00
      3   0.239100D+01 -0.389689D+00  0.223251D+01  0.216262D+00 -0.651144D+00
                91            92            93            94            95 
      1  -0.254390D+01  0.961325D+00  0.363906D+00  0.184112D+01 -0.184396D+01
      2   0.961325D+00 -0.834908D+00  0.316250D+01 -0.184396D+01  0.936776D+00
      3   0.363906D+00  0.316250D+01 -0.175492D+01  0.314116D+01 -0.248078D+01
                96            97            98            99           100 
      1   0.314116D+01 -0.158066D+00  0.450421D+01 -0.271760D+01  0.607518D+00
      2  -0.248078D+01  0.450421D+01 -0.324315D+01  0.744059D+00  0.624842D+00
      3   0.119682D+00 -0.271760D+01  0.744059D+00 -0.336139D+00 -0.991937D+00
               101           102           103           104           105 
      1   0.624842D+00 -0.991937D+00  0.203555D+00 -0.227263D+00 -0.282439D+01
      2  -0.146224D+01 -0.275335D+01 -0.227263D+00  0.440131D+01  0.304798D+01
      3  -0.275335D+01  0.872214D+00 -0.282439D+01  0.304798D+01  0.138146D+01
               106           107           108           109           110 
      1  -0.151188D+01 -0.351767D+01  0.818926D+00  0.122844D+01 -0.490510D-01
      2  -0.351767D+01  0.470730D+01  0.247071D+01 -0.490510D-01  0.301247D+01
      3   0.818926D+00  0.247071D+01  0.193797D+00  0.629180D+00  0.217048D+01
               111           112           113           114           115 
      1   0.629180D+00  0.526790D+00  0.556014D+00  0.164464D+01  0.404433D+00
      2   0.217048D+01  0.556014D+00 -0.958485D+01 -0.440629D+01  0.106736D+01
      3  -0.595542D+00  0.164464D+01 -0.440629D+01 -0.147763D+01 -0.129900D+01
               116           117           118           119           120 
      1   0.106736D+01 -0.129900D+01  0.492668D+01  0.178242D+00  0.151277D+01
      2  -0.302041D+01 -0.174042D+01  0.178242D+00  0.127693D+01 -0.274014D+00
      3  -0.174042D+01  0.648380D+00  0.151277D+01 -0.274014D+00  0.141834D+01
               121           122           123           124           125 
      1  -0.819101D+00  0.837025D+00 -0.557659D+00  0.263722D+01 -0.469105D+00
      2   0.837025D+00 -0.855497D+00  0.324592D+00 -0.469105D+00  0.803889D+00
      3  -0.557659D+00  0.324592D+00 -0.407979D+00  0.195163D+01  0.244238D-01
               126           127           128           129           130 
      1   0.195163D+01  0.424532D+01  0.274810D+01 -0.148982D+01  0.288036D+01
      2   0.244238D-01  0.274810D+01  0.247790D+01 -0.136407D+01  0.304952D+01
      3   0.206777D+01 -0.148982D+01 -0.136407D+01  0.138847D+01 -0.144915D+01
               131           132           133           134           135 
      1   0.304952D+01 -0.144915D+01 -0.264191D+01 -0.268630D+01  0.240902D+01
      2   0.529122D+01 -0.195196D+01 -0.268630D+01 -0.300804D+01  0.233057D+01
      3  -0.195196D+01  0.156751D+01  0.240902D+01  0.233057D+01 -0.268650D+01
               136           137           138           139           140 
      1  -0.246956D+01  0.103622D+01 -0.106540D+01  0.917637D+00 -0.110937D+01
      2   0.103622D+01 -0.220915D+01  0.852860D+00 -0.110937D+01  0.339630D+01
      3  -0.106540D+01  0.852860D+00 -0.114528D+01  0.555374D+00 -0.896537D+00
               141           142           143           144           145 
      1   0.555374D+00 -0.176686D+01  0.980914D+00 -0.102367D+01  0.146251D+01
      2  -0.896537D+00  0.980914D+00 -0.179432D+01  0.167190D+01  0.193704D+01
      3   0.978416D+00 -0.102367D+01  0.167190D+01 -0.218647D+01  0.547254D+00
               146           147           148           149           150 
      1   0.193704D+01  0.547254D+00  0.151722D+01  0.187405D+01  0.819382D+00
      2   0.222985D+01  0.893882D+00  0.187405D+01  0.879977D+01  0.273737D+01
      3   0.893882D+00  0.605154D+00  0.819382D+00  0.273737D+01  0.191843D+01
               151           152           153           154           155 
      1   0.524438D+00  0.143721D+01  0.741031D+00 -0.244663D+01 -0.104562D+01
      2   0.143721D+01  0.494049D+01  0.309631D+01 -0.104562D+01 -0.220475D+01
      3   0.741031D+00  0.309631D+01  0.244757D+01  0.105150D+01  0.858767D+00
               156           157           158           159           160 
      1   0.105150D+01 -0.929354D+00 -0.110201D+01  0.559501D+00  0.175061D+01
      2   0.858767D+00 -0.110201D+01 -0.343263D+01  0.899521D+00  0.986653D+00
      3  -0.113601D+01  0.559501D+00  0.899521D+00 -0.986418D+00 -0.101012D+01
               161           162           163           164           165 
      1   0.986653D+00 -0.101012D+01  0.148741D+01 -0.194889D+01 -0.559580D+00
      2   0.180291D+01 -0.167935D+01 -0.194889D+01  0.225368D+01  0.908257D+00
      3  -0.167935D+01  0.217714D+01 -0.559580D+00  0.908257D+00  0.619371D+00
               166           167           168           169           170 
      1  -0.152522D+01  0.189131D+01  0.830134D+00 -0.540736D+00  0.145886D+01
      2   0.189131D+01 -0.874466D+01 -0.273182D+01  0.145886D+01 -0.493447D+01
      3   0.830134D+00 -0.273182D+01 -0.192005D+01  0.758867D+00 -0.310140D+01
               171           172           173           174           175 
      1   0.758867D+00  0.492997D+01 -0.166972D+00 -0.150537D+01  0.830473D+00
      2  -0.310140D+01 -0.166972D+00  0.127523D+01 -0.280542D+00  0.838759D+00
      3  -0.246185D+01 -0.150537D+01 -0.280542D+00  0.141330D+01 -0.563132D+00
               176           177           178           179           180 
      1   0.838759D+00 -0.563132D+00 -0.262258D+01 -0.480090D+00  0.194528D+01
      2   0.907540D+00 -0.343494D+00 -0.480090D+00 -0.829889D+00 -0.206141D-02
      3  -0.343494D+00  0.424095D+00  0.194528D+01 -0.206141D-02 -0.206766D+01
               181           182           183           184           185 
      1   0.427971D+01 -0.275698D+01  0.149956D+01 -0.289026D+01  0.305355D+01
      2  -0.275698D+01  0.248716D+01 -0.136880D+01  0.305355D+01 -0.526670D+01
      3   0.149956D+01 -0.136880D+01  0.139290D+01 -0.145174D+01  0.194011D+01
               186           187           188           189           190 
      1  -0.145174D+01  0.265747D+01 -0.268672D+01  0.241354D+01  0.441730D+01
      2   0.194011D+01 -0.268672D+01  0.298471D+01 -0.231910D+01  0.982067D+00
      3  -0.156124D+01  0.241354D+01 -0.231910D+01  0.268096D+01  0.179267D+01
               191           192           193           194           195 
      1   0.982067D+00  0.179267D+01  0.261475D+01  0.167107D+00  0.184034D+01
      2   0.173726D+01  0.811001D+00  0.167107D+00  0.202581D+01  0.342650D-01
      3   0.811001D+00  0.148414D+01  0.184034D+01  0.342650D-01  0.134487D+01
               196           197           198           199           200 
      1   0.978544D+00  0.101735D+01  0.947159D+00 -0.160831D+01  0.124267D+01
      2   0.101735D+01  0.189185D+00  0.585461D+00  0.124267D+01 -0.978649D+00
      3   0.947159D+00  0.585461D+00  0.174160D+01 -0.937942D-01  0.988560D+00
               201           202           203           204           205 
      1  -0.937942D-01 -0.207287D-01 -0.373075D-01  0.331779D+00  0.120815D+01
      2   0.988560D+00 -0.373075D-01 -0.121043D+01  0.904113D+00 -0.229548D+00
      3  -0.163714D+01  0.331779D+00  0.904113D+00 -0.133203D+01  0.108406D+00
               206           207           208           209           210 
      1  -0.229548D+00  0.108406D+00 -0.355004D+01 -0.112262D+01 -0.160372D+01
      2   0.133406D+01 -0.130518D+01 -0.112262D+01 -0.354852D+01 -0.191304D+01
      3  -0.130518D+01  0.569594D+01 -0.160372D+01 -0.191304D+01 -0.187372D+01
               211           212           213           214           215 
      1  -0.168275D+01 -0.127578D+01 -0.942564D+00 -0.127632D+01 -0.838978D+00
      2  -0.127578D+01 -0.134769D+01 -0.229869D+00 -0.838978D+00  0.815222D-01
      3  -0.942564D+00 -0.229869D+00 -0.704916D+00 -0.980118D+00 -0.599813D+00
               216           217           218           219           220 
      1  -0.980118D+00  0.878983D+00 -0.643165D+00 -0.124212D+01 -0.438167D+00
      2  -0.599813D+00 -0.643165D+00  0.154183D+01  0.432880D+00 -0.603713D-01
      3  -0.177412D+01 -0.124212D+01  0.432880D+00  0.198324D+01 -0.230042D+00
               221           222           223           224           225 
      1  -0.603713D-01 -0.230042D+00 -0.113336D+01  0.187591D+00  0.112422D+01
      2   0.202460D+01  0.351950D+00  0.187591D+00 -0.144958D+01 -0.793186D+00
      3   0.351950D+00  0.641791D+00  0.112422D+01 -0.793186D+00 -0.554313D+01
               226           227           228           229           230 
      1   0.456110D+00  0.420470D+00  0.817222D+00  0.252843D+01 -0.110075D+01
      2   0.420470D+00 -0.101172D+01 -0.129046D+00 -0.110075D+01  0.582794D+01
      3   0.817222D+00 -0.129046D+00  0.191244D+00  0.860943D+00 -0.883457D+00
               231           232           233           234           235 
      1   0.860943D+00  0.174513D+01 -0.391240D+00  0.546518D+00  0.891933D+00
      2  -0.883457D+00 -0.391240D+00  0.535054D-01  0.471277D+00 -0.738030D+00
      3   0.125268D+01  0.546518D+00  0.471277D+00 -0.225011D+00  0.316541D-01
               236           237           238           239           240 
      1  -0.738030D+00  0.316541D-01 -0.122826D+01  0.106125D+00 -0.428568D+00
      2  -0.607429D-01 -0.374675D+00  0.106125D+00  0.693040D+00 -0.558665D+00
      3  -0.374675D+00  0.680453D+00 -0.428568D+00 -0.558665D+00 -0.350096D+00
               241           242           243           244           245 
      1  -0.186440D+01  0.230452D+00 -0.881190D+00 -0.357731D+01  0.111956D+01
      2   0.230452D+00 -0.103330D+01  0.111678D+01  0.111956D+01 -0.355423D+01
      3  -0.881190D+00  0.111678D+01 -0.707715D+01  0.161996D+01 -0.190745D+01
               246           247           248           249           250 
      1   0.161996D+01  0.167269D+01 -0.127535D+01 -0.936406D+00  0.128629D+01
      2  -0.190745D+01 -0.127535D+01  0.132094D+01  0.221179D+00 -0.832050D+00
      3  -0.187880D+01 -0.936406D+00  0.221179D+00  0.699639D+00 -0.983723D+00
               251           252           253           254           255 
      1  -0.832050D+00 -0.983723D+00  0.875536D+00  0.641971D+00  0.124546D+01
      2  -0.828656D-01  0.599920D+00  0.641971D+00  0.155549D+01  0.441454D+00
      3   0.599920D+00  0.177822D+01  0.124546D+01  0.441454D+00  0.199129D+01
               256           257           258           259           260 
      1   0.443050D+00 -0.482074D-01 -0.224198D+00  0.113373D+01  0.188646D+00
      2  -0.482074D-01 -0.201819D+01 -0.350630D+00  0.188646D+00  0.145398D+01
      3  -0.224198D+00 -0.350630D+00 -0.628901D+00  0.112545D+01  0.803312D+00
               261           262           263           264           265 
      1   0.112545D+01  0.443898D+01 -0.981390D+00 -0.179235D+01 -0.260463D+01
      2   0.803312D+00 -0.981390D+00  0.176971D+01  0.790043D+00  0.180487D+00
      3   0.554335D+01 -0.179235D+01  0.790043D+00  0.148730D+01  0.182280D+01
               266           267           268           269           270 
      1   0.180487D+00  0.182280D+01 -0.974222D+00  0.100836D+01  0.943951D+00
      2  -0.209667D+01  0.148360D-01  0.100836D+01 -0.138713D+00 -0.599887D+00
      3   0.148360D-01 -0.135151D+01  0.943951D+00 -0.599887D+00 -0.171707D+01
               271           272           273           274           275 
      1  -0.159656D+01 -0.124536D+01  0.904894D-01  0.120730D-01 -0.451427D-01
      2  -0.124536D+01 -0.986297D+00  0.986827D+00 -0.451427D-01  0.120250D+01
      3   0.904894D-01  0.986827D+00 -0.163541D+01  0.332714D+00 -0.896369D+00
               276           277           278           279           280 
      1   0.332714D+00 -0.121001D+01 -0.235111D+00  0.113262D+00 -0.961095D+00
      2  -0.896369D+00 -0.235111D+00 -0.133402D+01  0.129881D+01 -0.672856D+00
      3   0.131900D+01  0.113262D+00  0.129881D+01 -0.570769D+01 -0.987143D+00
               281           282           283           284           285 
      1  -0.672856D+00 -0.987143D+00 -0.152739D+01 -0.128713D+01 -0.571828D+00
      2  -0.421295D+00 -0.187461D+00 -0.128713D+01 -0.409934D+01 -0.203981D+01
      3  -0.187461D+00 -0.416637D+00 -0.571828D+00 -0.203981D+01 -0.224223D+01
               286           287           288           289           290 
      1  -0.163131D+01 -0.418189D+00 -0.904885D+00 -0.909369D+01  0.229392D+01
      2  -0.418189D+00 -0.156488D+01 -0.146465D+01  0.229392D+01 -0.160677D+01
      3  -0.904885D+00 -0.146465D+01 -0.214437D+01 -0.248023D+01  0.617240D+00
               291           292           293           294           295 
      1  -0.248023D+01  0.446954D+01 -0.243616D+01  0.143894D+01 -0.273242D+01
      2   0.617240D+00 -0.243616D+01  0.138979D+01 -0.122477D+01  0.772423D+00
      3  -0.185130D+01  0.143894D+01 -0.122477D+01  0.926123D+00 -0.237708D+01
               296           297           298           299           300 
      1   0.772423D+00 -0.237708D+01 -0.906257D+01 -0.231686D+01  0.246246D+01
      2  -0.764908D+00  0.629242D+00 -0.231686D+01 -0.162311D+01  0.619307D+00
      3   0.629242D+00 -0.149139D+01  0.246246D+01  0.619307D+00 -0.184022D+01
               301           302           303           304           305 
      1  -0.449576D+01 -0.246143D+01  0.143989D+01  0.271376D+01  0.776392D+00
      2  -0.246143D+01 -0.141798D+01  0.122934D+01  0.776392D+00  0.768523D+00
      3   0.143989D+01  0.122934D+01 -0.930784D+00 -0.236643D+01 -0.637074D+00
               306           307           308           309           310 
      1  -0.236643D+01 -0.956074D+00  0.690755D+00  0.984915D+00  0.155493D+01
      2  -0.637074D+00  0.690755D+00 -0.433916D+00 -0.197059D+00 -0.129730D+01
      3   0.148078D+01  0.984915D+00 -0.197059D+00 -0.426466D+00 -0.584464D+00
               311           312           313           314           315 
      1  -0.129730D+01 -0.584464D+00  0.163235D+01 -0.422553D+00 -0.912156D+00
      2   0.409299D+01  0.203434D+01 -0.422553D+00  0.155967D+01  0.146002D+01
      3   0.203434D+01  0.224085D+01 -0.912156D+00  0.146002D+01  0.214110D+01
               316           317           318           319           320 
      1   0.880444D+00  0.742726D+00 -0.291398D-01  0.123775D+01  0.115549D+00
      2   0.742726D+00 -0.547148D-01 -0.373976D+00  0.115549D+00 -0.686826D+00
      3  -0.291398D-01 -0.373976D+00  0.672640D+00 -0.433003D+00  0.554308D+00
               321           322           323           324           325 
      1  -0.433003D+00  0.186268D+01  0.234329D+00 -0.883766D+00  0.469075D+00
      2   0.554308D+00  0.234329D+00  0.103242D+01 -0.110890D+01 -0.404761D+00
      3   0.365293D+00 -0.883766D+00 -0.110890D+01  0.708003D+01 -0.816927D+00
               326           327           328           329           330 
      1  -0.404761D+00 -0.816927D+00 -0.251330D+01 -0.109894D+01  0.852332D+00
      2  -0.993420D+00 -0.137254D+00 -0.109894D+01 -0.583325D+01  0.901015D+00
      3  -0.137254D+00  0.193702D+00  0.852332D+00  0.901015D+00 -0.125273D+01
               331           332           333 
      1  -0.173609D+01 -0.397117D+00  0.543272D+00
      2  -0.397117D+00 -0.431073D-01 -0.469317D+00
      3   0.543272D+00 -0.469317D+00  0.232908D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.249152D+01 -0.238608D+00  0.872654D-01  0.689328D+00 -0.193845D+01
      2  -0.530179D+01 -0.670605D+01  0.712629D+01 -0.817673D+01 -0.795315D+01
      3  -0.101271D+02 -0.207250D+01  0.279256D+01  0.736155D+00  0.998472D+01
                 6             7             8             9            10 
      1  -0.420142D+01  0.497489D+00 -0.539078D+00 -0.702052D+00  0.247305D+01
      2  -0.610889D+01  0.277506D+01 -0.842264D+00  0.169957D+01  0.537193D+01
      3   0.842594D+01  0.396230D+01  0.897628D+01  0.368068D+01  0.101292D+02
                11            12            13            14            15 
      1   0.304128D+00 -0.101752D+00 -0.621659D+00 -0.195040D+01 -0.421508D+01
      2  -0.672302D+01  0.712109D+01 -0.822236D+01  0.787489D+01  0.610914D+01
      3  -0.192410D+01  0.284841D+01  0.889943D+00 -0.997751D+01 -0.841582D+01
                16            17            18            19            20 
      1  -0.507287D+00 -0.536111D+00 -0.687642D+00 -0.895016D+00  0.679988D+01
      2   0.276188D+01  0.835963D+00 -0.168396D+01 -0.189088D+02 -0.117575D+01
      3   0.401907D+01 -0.897606D+01 -0.366853D+01 -0.127252D+02  0.308660D+01
                21            22            23            24            25 
      1   0.190667D+01  0.178705D+02  0.152101D+02 -0.995641D+01  0.109869D+02
      2  -0.163193D+01 -0.867845D+00 -0.291243D+01 -0.689718D+00 -0.240512D+02
      3   0.162217D+01  0.252528D+02  0.164839D+02 -0.945022D+01  0.267328D+01
                26            27            28            29            30 
      1   0.681433D+01 -0.132968D+02 -0.155613D+01  0.159256D-01  0.109533D-01
      2  -0.852686D+01  0.212850D+02 -0.594115D-01  0.103939D+01 -0.364288D+01
      3  -0.221326D+01 -0.779621D-01 -0.301715D-01  0.732259D+01  0.142933D+01
                31            32            33            34            35 
      1  -0.190944D-01 -0.761220D-01  0.463916D+01 -0.853420D-02 -0.111059D+02
      2  -0.441246D+00 -0.301467D-01  0.208571D-02  0.120985D+02  0.330790D-01
      3  -0.919278D+01 -0.725851D-02  0.501189D-01  0.303302D+00  0.135938D-01
                36            37            38            39            40 
      1   0.181694D+00 -0.635683D+01  0.782931D+01  0.687449D+01  0.124801D+02
      2  -0.287441D-01 -0.195579D+02 -0.842491D+01  0.769267D+01  0.101191D+01
      3  -0.151426D-01 -0.218122D+02 -0.293472D+01  0.116890D+02  0.184267D+02
                41            42            43            44            45 
      1   0.114427D+02 -0.423477D+01  0.121968D+02  0.945740D+01 -0.729234D+01
      2  -0.537594D+00 -0.954863D+01 -0.184744D+02 -0.175774D+02  0.179190D+02
      3   0.162841D+02 -0.796419D+01  0.478610D+01 -0.471476D+01  0.310554D+01
                46            47            48            49            50 
      1   0.569269D+01 -0.482696D+01  0.270128D+01 -0.441815D+01 -0.839893D+01
      2  -0.393490D+01  0.564269D+01 -0.193548D+01  0.450543D+01  0.593999D+01
      3  -0.365761D+01  0.383447D-01 -0.906473D+01  0.570753D+01 -0.314104D+01
                51            52            53            54            55 
      1  -0.635702D+01  0.769742D+00 -0.352149D+01  0.140925D+01 -0.782353D+00
      2   0.306263D+01 -0.364178D+01  0.426175D+01 -0.106780D+01 -0.928686D+00
      3  -0.284219D+01 -0.134566D+02 -0.171743D+01 -0.507468D+01  0.579635D+01
                56            57            58            59            60 
      1   0.918743D+01 -0.669308D+01  0.105177D+02  0.347132D+01 -0.684501D+00
      2  -0.389506D+01  0.430256D+01 -0.359375D+01 -0.163005D+00  0.723029D+00
      3  -0.437626D+01  0.226473D+01  0.105772D+01  0.472201D+00 -0.920901D+01
                61            62            63            64            65 
      1  -0.650500D+01 -0.234080D+00 -0.148174D+01 -0.486801D-02  0.154790D+01
      2   0.287795D+00  0.130796D+01  0.654402D+00 -0.238708D+01  0.181441D+02
      3   0.571526D+01 -0.121651D+02  0.547558D+01 -0.271400D+00 -0.318537D+02
                66            67            68            69            70 
      1   0.674731D+01 -0.310489D+01 -0.186209D+02  0.191860D+01  0.710836D+01
      2   0.116819D+02  0.913130D+01 -0.255883D+01 -0.389619D+01  0.775449D+00
      3  -0.128373D+02 -0.925375D+01  0.588370D+01  0.638076D+01 -0.619265D+01
                71            72            73            74            75 
      1   0.295809D+02  0.182718D+02 -0.874610D+00 -0.685079D+01 -0.185284D+01
      2  -0.943915D+00  0.243889D+01  0.190175D+02 -0.117247D+01 -0.154348D+01
      3   0.201115D+01 -0.304375D+01  0.126953D+02  0.314538D+01  0.163073D+01
                76            77            78            79            80 
      1  -0.179024D+02  0.151137D+02 -0.992817D+01 -0.109354D+02  0.679153D+01
      2  -0.911457D+00  0.298601D+01  0.666437D+00 -0.240009D+02  0.848619D+01
      3   0.252543D+02 -0.163570D+02  0.940371D+01  0.271207D+01  0.219488D+01
                81            82            83            84            85 
      1  -0.132283D+02 -0.634501D+01 -0.785590D+01 -0.692681D+01 -0.125355D+02
      2  -0.213227D+02  0.194980D+02 -0.843106D+01  0.764616D+01  0.102991D+01
      3   0.653273D-01  0.217011D+02 -0.285526D+01  0.116969D+02  0.185252D+02
                86            87            88            89            90 
      1   0.114323D+02 -0.431258D+01 -0.121834D+02  0.929980D+01 -0.721577D+01
      2   0.470340D+00  0.962372D+01 -0.185169D+02  0.175825D+02 -0.179073D+02
      3  -0.163129D+02  0.806716D+01  0.479288D+01  0.480008D+01 -0.312861D+01
                91            92            93            94            95 
      1   0.562065D+01  0.493091D+01 -0.266730D+01  0.447972D+01 -0.835143D+01
      2   0.390030D+01  0.575822D+01 -0.192621D+01  0.456489D+01 -0.594139D+01
      3   0.362936D+01  0.176444D+00 -0.911696D+01  0.574983D+01  0.307683D+01
                96            97            98            99           100 
      1  -0.635120D+01 -0.713164D+00 -0.353573D+01  0.138595D+01 -0.682587D+00
      2  -0.309319D+01 -0.359511D+01 -0.430916D+01  0.105603D+01  0.969288D+00
      3   0.280404D+01 -0.134545D+02  0.164168D+01  0.506241D+01 -0.577430D+01
               101           102           103           104           105 
      1  -0.923610D+01  0.663480D+01 -0.105526D+02  0.343436D+01 -0.619345D+00
      2  -0.392927D+01  0.431851D+01 -0.363693D+01  0.143268D+00 -0.709127D+00
      3  -0.443560D+01  0.220509D+01  0.103003D+01 -0.536018D+00  0.924206D+01
               106           107           108           109           110 
      1   0.644659D+01 -0.148523D+00 -0.144771D+01 -0.208562D-01 -0.156196D+01
      2   0.295551D+00 -0.129924D+01 -0.655403D+00  0.230368D+01  0.181346D+02
      3   0.564447D+01  0.122314D+02 -0.542928D+01  0.409690D+00 -0.318371D+02
               111           112           113           114           115 
      1  -0.679630D+01  0.314450D+01 -0.186488D+02  0.183332D+01 -0.720483D+01
      2   0.116400D+02  0.913260D+01  0.260687D+01  0.394904D+01  0.737162D+00
      3  -0.128105D+02 -0.920319D+01 -0.603331D+01 -0.643051D+01 -0.617013D+01
               116           117           118           119           120 
      1   0.295508D+02  0.182990D+02 -0.421714D+01  0.115176D+01 -0.312390D+01
      2   0.103647D+01 -0.238271D+01  0.507890D+01 -0.113554D+01  0.539923D+01
      3  -0.202692D+01  0.303834D+01  0.116157D+02 -0.455474D+01  0.491852D+01
               121           122           123           124           125 
      1   0.167919D+01 -0.835607D+00  0.589732D+00 -0.434866D+01  0.201777D+01
      2  -0.199108D+01  0.109867D+01 -0.205782D+01  0.446788D+01 -0.442316D+00
      3  -0.393621D+01  0.665497D+01 -0.269271D+01  0.820659D+01 -0.455369D+01
               126           127           128           129           130 
      1  -0.578983D+01  0.170162D+01  0.109587D+01 -0.353445D+01  0.229607D+01
      2   0.685621D+01 -0.841661D+00 -0.124708D+01  0.350388D+01 -0.192278D+01
      3   0.478051D+01  0.442067D+01 -0.320677D+00 -0.871924D+00  0.136288D+01
               131           132           133           134           135 
      1   0.126509D+01 -0.426350D+01 -0.188269D+01  0.137516D+00  0.536674D+01
      2  -0.240253D+01  0.356986D+01  0.943111D+00  0.195330D+01 -0.490574D+01
      3  -0.517861D+01  0.562209D+00  0.817158D+00  0.368324D+01  0.202155D+00
               136           137           138           139           140 
      1   0.467575D+01 -0.330813D+01  0.512022D+01 -0.241801D+01  0.342289D+01
      2  -0.983233D+00  0.646133D+00  0.358752D+00  0.578624D+00 -0.603910D+00
      3  -0.119658D+02  0.347935D+01 -0.512519D+01  0.425183D+01 -0.666802D+01
               141           142           143           144           145 
      1  -0.393460D+01  0.437883D+01 -0.411210D+01  0.902099D+01 -0.437641D+00
      2   0.207489D+00 -0.223109D+01  0.495987D+00 -0.156734D+01 -0.333379D+00
      3   0.271701D+01 -0.840876D+01  0.445871D+01 -0.497346D+01  0.312251D+01
               146           147           148           149           150 
      1  -0.227593D+01 -0.203527D+01 -0.929665D+00 -0.393678D+01 -0.691522D+01
      2   0.237747D+00  0.991621D+00 -0.462083D+00  0.134198D+01  0.207247D+01
      3   0.316583D+01  0.798821D+00  0.490201D+01 -0.238218D+01 -0.465798D+00
               151           152           153           154           155 
      1  -0.517745D+00 -0.237556D+01 -0.664902D+01  0.460264D+01  0.335694D+01
      2  -0.138803D+01  0.541023D+00  0.206545D+01  0.973864D+00  0.664042D+00
      3   0.258634D+01  0.254818D+01 -0.314705D+00  0.118802D+02  0.356819D+01
               156           157           158           159           160 
      1  -0.508016D+01  0.245463D+01  0.342714D+01 -0.398340D+01 -0.431824D+01
      2   0.351908D+00  0.596444D+00  0.609876D+00 -0.225558D+00 -0.222503D+01
      3  -0.507110D+01  0.433168D+01  0.669612D+01 -0.275778D+01 -0.835261D+01
               161           162           163           164           165 
      1  -0.416383D+01  0.898615D+01 -0.462999D+00  0.229268D+01  0.207459D+01
      2  -0.529125D+00  0.159064D+01  0.335405D+00  0.250820D+00  0.101203D+01
      3  -0.452797D+01  0.494504D+01 -0.316859D+01  0.314533D+01  0.809396D+00
               166           167           168           169           170 
      1   0.955352D+00 -0.393152D+01 -0.690123D+01  0.547911D+00 -0.239039D+01
      2  -0.450826D+00 -0.136039D+01 -0.209694D+01 -0.138667D+01 -0.555819D+00
      3   0.486965D+01  0.240090D+01  0.461841D+00  0.261020D+01 -0.254930D+01
               171           172           173           174           175 
      1  -0.668081D+01 -0.416792D+01 -0.116768D+01  0.309164D+01 -0.168934D+01
      2  -0.210346D+01 -0.506342D+01 -0.117105D+01  0.539257D+01 -0.202488D+01
      3   0.300912D+00 -0.115820D+02 -0.459874D+01  0.490645D+01 -0.397205D+01
               176           177           178           179           180 
      1  -0.935000D+00  0.643260D+00  0.430968D+01  0.210653D+01 -0.577989D+01
      2  -0.119024D+01  0.212979D+01  0.447029D+01  0.530404D+00 -0.688835D+01
      3  -0.686664D+01  0.278615D+01  0.817674D+01  0.469468D+01 -0.482990D+01
               181           182           183           184           185 
      1   0.171022D+01 -0.110322D+01  0.353972D+01 -0.228491D+01  0.123626D+01
      2   0.859236D+00 -0.126749D+01  0.353209D+01 -0.193287D+01  0.238443D+01
      3  -0.442530D+01 -0.377611D+00 -0.857464D+00  0.132497D+01  0.517869D+01
               186           187           188           189           190 
      1  -0.423832D+01  0.186823D+01  0.160929D+00  0.533585D+01  0.449770D+01
      2  -0.357043D+01  0.942487D+00 -0.192944D+01  0.491012D+01 -0.300285D+01
      3  -0.558211D+00  0.821907D+00 -0.365297D+01 -0.208568D+00 -0.711118D+01
               191           192           193           194           195 
      1   0.379150D+01  0.325996D+01  0.451335D+01  0.498649D+01  0.237160D+01
      2  -0.959287D+00  0.644099D+00 -0.471365D+01  0.915128D+00 -0.647563D+00
      3  -0.564095D+01 -0.368686D+01 -0.683751D+01 -0.572190D+01 -0.414939D+01
               196           197           198           199           200 
      1   0.193751D+01  0.249798D+01  0.245256D+01  0.124633D+01 -0.161697D+01
      2   0.487460D+00  0.694916D+00  0.991639D+00 -0.110105D+01  0.287891D+01
      3  -0.172146D+01 -0.112674D+01 -0.281220D+01 -0.210158D+01  0.247742D+01
               201           202           203           204           205 
      1  -0.787226D+00  0.222822D+00 -0.304377D+00 -0.801313D+00 -0.140917D+00
      2  -0.597811D+01  0.162327D+01  0.166339D+01 -0.273875D+01 -0.163820D+01
      3  -0.282999D+01  0.162426D+01  0.109978D+01 -0.166291D+01 -0.604469D-01
               206           207           208           209           210 
      1   0.151127D+01  0.411774D+01 -0.261733D+01  0.284795D+01 -0.203817D+01
      2  -0.277934D+01  0.115387D+02 -0.794752D+01 -0.423806D+01 -0.334161D+01
      3  -0.236771D+01  0.243581D+01  0.114921D+02  0.443408D+01  0.582488D+01
               211           212           213           214           215 
      1   0.784881D-01 -0.840691D+00 -0.161343D+01 -0.250036D+01 -0.224465D+00
      2  -0.196798D+01 -0.634811D+00 -0.984729D+00 -0.246812D+01 -0.362290D+00
      3   0.330097D+01  0.127179D+01  0.118697D+01  0.213716D+01  0.106091D+01
               216           217           218           219           220 
      1  -0.206686D+01 -0.235864D+01  0.192855D-01  0.521104D+01 -0.389458D+00
      2  -0.180479D+01  0.183237D+01 -0.135873D+01 -0.152578D+01  0.724423D+00
      3   0.298055D+01 -0.223974D+01  0.830183D+00  0.291987D+01 -0.412772D-01
               221           222           223           224           225 
      1   0.143254D+01  0.312903D+01  0.221899D+01  0.232725D+00 -0.117430D+02
      2  -0.225218D+01 -0.142967D+01 -0.259002D+01  0.777939D+00  0.185936D+01
      3   0.314803D+01  0.156308D+01  0.223506D+01 -0.119604D+01 -0.257406D+01
               226           227           228           229           230 
      1   0.776289D+00 -0.105757D+01  0.912296D+00  0.230215D+01 -0.102044D+02
      2   0.157830D+01  0.534048D+00  0.153146D+01  0.297183D+01  0.507876D+00
      3   0.393354D+00  0.578592D+00 -0.557420D+00  0.101209D+01  0.124185D+02
               231           232           233           234           235 
      1   0.821694D-01  0.234661D+01 -0.238360D+01  0.123811D+00 -0.193904D+01
      2  -0.926647D+00  0.157806D+01 -0.177472D+01  0.691027D+00  0.851159D+00
      3  -0.159127D+01 -0.186034D+00  0.223522D+01  0.351203D+00  0.177139D+01
               236           237           238           239           240 
      1   0.817322D+00 -0.201887D+01  0.849730D+00  0.225998D+00  0.168606D+01
      2   0.139956D+01 -0.282295D+01  0.133044D+00  0.139665D+01  0.991743D+00
      3  -0.737656D+00 -0.303637D+00  0.207403D+00  0.343631D+00 -0.162258D+01
               241           242           243           244           245 
      1   0.155963D+01  0.692045D+00  0.689167D+01 -0.266554D+01 -0.284533D+01
      2  -0.149198D+01 -0.266328D+01  0.140783D+02  0.798357D+01 -0.421053D+01
      3  -0.223661D+01 -0.140416D+01  0.140706D+01 -0.115843D+02  0.435719D+01
               246           247           248           249           250 
      1   0.207532D+01 -0.900421D-01 -0.863075D+00 -0.160671D+01  0.251967D+01
      2  -0.334749D+01 -0.192841D+01  0.616147D+00  0.963551D+00 -0.247133D+01
      3   0.584985D+01  0.323141D+01 -0.127156D+01 -0.116197D+01  0.216270D+01
               251           252           253           254           255 
      1  -0.211740D+00 -0.207815D+01 -0.236279D+01 -0.338800D-01 -0.523027D+01
      2   0.354616D+00  0.180117D+01 -0.184254D+01 -0.137242D+01 -0.155139D+01
      3  -0.105535D+01 -0.299094D+01  0.224329D+01  0.857267D+00  0.293274D+01
               256           257           258           259           260 
      1   0.372534D+00  0.140960D+01  0.308935D+01 -0.222023D+01  0.214456D+00
      2   0.709725D+00  0.225585D+01  0.143289D+01 -0.260033D+01 -0.791440D+00
      3  -0.241518D-01 -0.314236D+01 -0.155282D+01  0.224005D+01  0.120890D+01
               261           262           263           264           265 
      1  -0.117335D+02  0.452041D+01 -0.385848D+01 -0.321643D+01 -0.452316D+01
      2  -0.190349D+01  0.305159D+01 -0.102882D+01  0.665603D+00 -0.476275D+01
      3   0.258636D+01  0.718237D+01 -0.577365D+01 -0.363320D+01 -0.690832D+01
               266           267           268           269           270 
      1   0.516674D+01  0.224090D+01 -0.190889D+01  0.238194D+01  0.247704D+01
      2  -0.720034D+00  0.567062D+00  0.517254D+00 -0.775478D+00 -0.930106D+00
      3   0.602520D+01  0.396401D+01 -0.167119D+01  0.952257D+00  0.286823D+01
               271           272           273           274           275 
      1   0.122151D+01  0.160311D+01  0.809878D+00 -0.222294D+00 -0.297826D+00
      2   0.110669D+01  0.288915D+01 -0.597582D+01  0.163174D+01 -0.164601D+01
      3   0.208969D+01  0.247769D+01 -0.282043D+01  0.163490D+01 -0.108453D+01
               276           277           278           279           280 
      1  -0.798405D+00  0.141312D+00  0.150862D+01  0.417156D+01  0.625687D+00
      2   0.269862D+01 -0.162221D+01  0.276392D+01 -0.115584D+02  0.380412D+01
      3   0.165106D+01 -0.556552D-01  0.236152D+01 -0.241627D+01 -0.236288D+01
               281           282           283           284           285 
      1   0.138987D+00  0.148806D+00  0.135728D+01  0.511331D+01  0.548848D+00
      2  -0.414404D+00  0.354887D+00 -0.486187D+00  0.592876D+01  0.798109D+01
      3  -0.112894D+01 -0.460716D+00 -0.148566D+01 -0.155253D+02 -0.730536D+01
               286           287           288           289           290 
      1   0.117501D+00  0.301641D+01  0.108494D+01 -0.135001D+01  0.154673D+01
      2  -0.452470D+00  0.507981D+01  0.623840D+01 -0.710056D+00 -0.406115D+00
      3  -0.100429D+01 -0.585174D+01 -0.565609D+01  0.479857D+01 -0.644387D+01
               291           292           293           294           295 
      1  -0.896946D-01  0.154858D+01 -0.143854D+01 -0.168136D+00 -0.837761D-01
      2   0.596490D+01  0.377324D+01  0.122354D+01 -0.159867D+01  0.241992D+01
      3   0.214805D+01 -0.312076D+01  0.483015D+01 -0.329788D+01 -0.628393D-01
               296           297           298           299           300 
      1   0.133907D+01  0.725510D-01 -0.134226D+01 -0.154128D+01  0.637382D-01
      2  -0.152396D+01  0.272727D+01  0.692734D+00 -0.403588D+00  0.595667D+01
      3  -0.306685D+01  0.108827D+01 -0.478431D+01 -0.646091D+01  0.213328D+01
               301           302           303           304           305 
      1  -0.157009D+01 -0.144505D+01 -0.179130D+00  0.737630D-01  0.132871D+01
      2   0.378921D+01 -0.120892D+01  0.162466D+01  0.241740D+01  0.153731D+01
      3  -0.314730D+01 -0.488590D+01  0.330276D+01 -0.707499D-01  0.306230D+01
               306           307           308           309           310 
      1   0.814421D-01  0.691897D+00 -0.146957D+00 -0.162726D+00 -0.135320D+01
      2  -0.270590D+01 -0.385662D+01 -0.421940D+00  0.413414D+00 -0.497130D+00
      3  -0.109059D+01  0.248566D+01 -0.116370D+01 -0.524449D+00 -0.151146D+01
               311           312           313           314           315 
      1   0.512704D+01  0.559747D+00 -0.135410D+00  0.302426D+01  0.109962D+01
      2  -0.591706D+01 -0.797082D+01 -0.410299D+00 -0.506172D+01 -0.623204D+01
      3   0.155545D+02  0.728693D+01 -0.104878D+01  0.584273D+01  0.565287D+01
               316           317           318           319           320 
      1  -0.193055D+01 -0.829995D+00  0.201670D+01 -0.868963D+00  0.230815D+00
      2  -0.855769D+00  0.138731D+01 -0.279805D+01  0.129176D+00 -0.138650D+01
      3  -0.177932D+01 -0.750514D+00 -0.295479D+00  0.185110D+00 -0.337416D+00
               321           322           323           324           325 
      1   0.171385D+01 -0.156496D+01  0.681328D+00  0.695160D+01  0.822181D+00
      2  -0.102438D+01 -0.149327D+01  0.263899D+01 -0.140579D+02 -0.159303D+01
      3   0.162668D+01 -0.224502D+01  0.138798D+01 -0.137689D+01 -0.353494D+00
               326           327           328           329           330 
      1   0.107811D+01 -0.931412D+00 -0.231747D+01 -0.101735D+02  0.115883D+00
      2   0.528962D+00  0.152129D+01  0.295417D+01 -0.544522D+00  0.942426D+00
      3   0.605150D+00 -0.592362D+00  0.983445D+00 -0.123783D+02  0.164705D+01
               331           332           333 
      1  -0.234609D+01 -0.236832D+01  0.130412D+00
      2   0.155566D+01  0.177558D+01 -0.694071D+00
      3  -0.204268D+00 -0.219971D+01 -0.345215D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.187240D+02  0.248677D+02 -0.203379D+02  0.311244D+02 -0.282944D+01
      2   0.120019D+02 -0.141847D+02  0.100743D+02 -0.181288D+02  0.305803D+01
      3   0.672210D+01 -0.106830D+02  0.102636D+02 -0.129956D+02 -0.228589D+00
      4   0.222903D+02 -0.618113D+01  0.390546D+01 -0.829434D+01 -0.109612D+02
      5  -0.194609D+02  0.523506D+01 -0.716324D+01  0.982830D+01 -0.179403D+02
      6   0.707462D+01 -0.448635D+00 -0.808003D+00 -0.428663D+01 -0.470700D+01
                 6             7             8             9            10 
      1   0.721441D+01 -0.158535D+02  0.469427D+01 -0.375322D+01 -0.183576D+02
      2  -0.446649D+01  0.729969D+01 -0.304716D+01  0.101354D+00  0.116848D+02
      3  -0.274792D+01  0.855382D+01 -0.164711D+01  0.365187D+01  0.667278D+01
      4  -0.155693D+02  0.421616D+01 -0.130676D+02 -0.347112D+01 -0.223830D+02
      5  -0.554051D+01 -0.739788D+01 -0.351722D+01  0.489256D+01  0.193127D+02
      6  -0.617856D+01  0.189609D+00 -0.552074D+01 -0.144384D+01  0.709635D+01
                11            12            13            14            15 
      1  -0.248792D+02  0.202693D+02 -0.311525D+02 -0.324811D+01  0.708686D+01
      2   0.141512D+02 -0.999515D+01  0.181030D+02  0.330462D+01 -0.435670D+01
      3   0.107280D+02 -0.102741D+02  0.130496D+02 -0.565085D-01 -0.273017D+01
      4  -0.654056D+01  0.390496D+01 -0.871099D+01  0.108975D+02  0.156375D+02
      5   0.515520D+01 -0.708793D+01  0.972585D+01  0.180267D+02  0.556495D+01
      6   0.528058D+00  0.833869D+00  0.438934D+01 -0.461356D+01 -0.613139D+01
                16            17            18            19            20 
      1   0.157840D+02  0.458436D+01 -0.368947D+01  0.131327D+02  0.129843D+02
      2  -0.723011D+01 -0.294896D+01  0.899072D-01 -0.143389D+02 -0.929034D+01
      3  -0.855388D+01 -0.163540D+01  0.359957D+01  0.120612D+01 -0.369396D+01
      4   0.420044D+01  0.131244D+02  0.347122D+01  0.533077D+01 -0.285018D+00
      5  -0.734365D+01  0.352773D+01 -0.491030D+01 -0.104671D+02 -0.295960D+01
      6  -0.169991D+00 -0.550226D+01 -0.144983D+01 -0.750197D+01  0.132940D+01
                21            22            23            24            25 
      1  -0.117515D+02  0.660016D+01  0.229895D+01  0.189330D+01 -0.540414D+01
      2   0.108618D+02 -0.471148D+01 -0.865748D+01  0.312944D+00  0.547447D+01
      3   0.889610D+00 -0.188868D+01  0.635853D+01 -0.220624D+01 -0.703255D-01
      4  -0.104033D+01 -0.250275D+00 -0.113164D+02 -0.170024D+01 -0.113648D+01
      5   0.743519D+01 -0.199344D+01 -0.259870D+01  0.172754D+01  0.566562D+01
      6   0.141176D+01  0.223479D+00  0.448180D+01  0.358802D+01  0.180709D+00
                26            27            28            29            30 
      1   0.570498D-01  0.101958D+02 -0.114848D+02 -0.140400D-01  0.203669D-01
      2  -0.691264D+00  0.445299D+01  0.216234D+01  0.120330D-01 -0.266303D-01
      3   0.634214D+00 -0.146488D+02  0.932246D+01  0.200695D-02  0.626349D-02
      4  -0.129630D+00 -0.127483D+01 -0.118905D-02 -0.596103D+01 -0.547438D+01
      5  -0.257892D+00  0.701086D+01  0.123982D-01 -0.367663D+01 -0.236375D+01
      6   0.338487D+01  0.247540D+01 -0.326352D+01 -0.119406D-01  0.110085D-01
                31            32            33            34            35 
      1   0.805548D-02  0.225212D+01 -0.555385D+01  0.171621D-01 -0.829085D+01
      2  -0.113336D-01 -0.105580D+02  0.675975D+01 -0.212574D-01  0.899660D+01
      3   0.327812D-02  0.830589D+01 -0.120590D+01  0.409537D-02 -0.705747D+00
      4  -0.715796D+01  0.111659D-01 -0.376693D-01 -0.838312D+01 -0.217843D-01
      5  -0.332630D+01 -0.233009D-01  0.369664D-02  0.483707D+01 -0.247058D-02
      6  -0.167177D-01  0.396302D+01 -0.231908D+01  0.868515D-02  0.377332D+01
                36            37            38            39            40 
      1   0.279797D+00 -0.654613D+01  0.173394D+01  0.987846D+01  0.847926D+00
      2   0.437202D+00  0.103916D+02 -0.425965D+01 -0.712766D+01 -0.174280D-01
      3  -0.717000D+00 -0.384544D+01  0.252571D+01 -0.275080D+01 -0.830498D+00
      4  -0.565041D-02  0.105546D+02  0.548280D+01 -0.805232D+01  0.911589D+01
      5   0.113349D-01  0.266171D+01 -0.112342D+02  0.254605D+01 -0.107229D+02
      6  -0.794144D+00 -0.372909D+01 -0.511410D+01  0.631390D+01 -0.415998D+01
                41            42            43            44            45 
      1  -0.644733D+01 -0.525619D+01  0.823512D+01 -0.544968D+01  0.610716D+01
      2   0.444249D+01 -0.459308D+01 -0.420053D+01 -0.131486D+01  0.179058D+01
      3   0.200485D+01  0.984927D+01 -0.403459D+01  0.676454D+01 -0.789774D+01
      4   0.718981D+01 -0.947151D+01 -0.322830D+01 -0.648519D+01  0.229463D+01
      5  -0.460321D+01  0.317852D+01  0.191524D+01  0.890411D+00  0.110794D+01
      6  -0.316220D+01  0.946228D+00  0.430488D+01  0.304666D-01  0.624269D+01
                46            47            48            49            50 
      1  -0.677896D+01  0.142230D+01 -0.135137D+02  0.169838D+01 -0.100355D+01
      2   0.145053D+01 -0.167643D+01  0.174675D+02 -0.546003D+01  0.114059D+01
      3   0.532843D+01  0.254129D+00 -0.395381D+01  0.376165D+01 -0.137048D+00
      4  -0.116840D+02 -0.793682D+01  0.801938D+01 -0.131912D+02 -0.889514D+01
      5  -0.362232D+01  0.128737D+02 -0.845757D+01  0.135967D+02  0.122244D+02
      6   0.140022D+01  0.147747D+02 -0.927476D+01  0.151575D+02  0.119259D+02
                51            52            53            54            55 
      1   0.647524D+01 -0.161751D+02  0.744012D+01 -0.864745D+01  0.282203D+01
      2   0.685166D+01  0.202688D+02  0.502239D+01  0.444501D+01 -0.238187D+01
      3  -0.133269D+02 -0.409363D+01 -0.124625D+02  0.420244D+01 -0.440159D+00
      4   0.202302D+02  0.127421D+02  0.250263D+02 -0.106495D+02  0.333930D+01
      5  -0.165501D+01 -0.129040D+02 -0.421583D+01  0.145510D+01  0.145000D+01
      6  -0.511423D+01 -0.118803D+02 -0.548312D+01  0.220890D+01  0.513871D+01
                56            57            58            59            60 
      1   0.393428D+01  0.107069D+02  0.219818D+01  0.155275D+02  0.314914D+01
      2  -0.555440D+01 -0.199254D+02 -0.434278D+00 -0.228344D+02 -0.140104D+02
      3   0.162012D+01  0.921855D+01 -0.176391D+01  0.730688D+01  0.108613D+02
      4  -0.678264D+01  0.561835D+00 -0.268981D+01 -0.102998D+02 -0.201011D+02
      5  -0.326500D+01 -0.105614D+01 -0.341486D+01 -0.872021D+01 -0.411493D+01
      6  -0.177281D+02  0.357159D+01 -0.172425D+02 -0.191147D+02 -0.110955D+02
                61            62            63            64            65 
      1   0.139580D+02  0.787347D+01  0.978556D+01  0.275955D+01 -0.470242D+01
      2  -0.221337D+02 -0.183717D+02 -0.132628D+02 -0.219669D+01  0.386639D+01
      3   0.817578D+01  0.104983D+02  0.347719D+01 -0.562857D+00  0.836031D+00
      4   0.204422D+01 -0.241462D+02  0.155952D+01  0.722322D+01  0.109537D+01
      5  -0.434916D+00 -0.350684D+01 -0.105827D+01  0.278862D+01 -0.288162D+01
      6   0.411236D+01 -0.162094D+02 -0.106378D+01 -0.656655D+01  0.800963D+01
                66            67            68            69            70 
      1  -0.100327D+01 -0.431018D+01 -0.996526D+01 -0.480479D+01 -0.194017D+01
      2   0.107993D+02  0.406502D+00  0.112513D+02  0.756789D+01  0.987294D+01
      3  -0.979607D+01  0.390368D+01 -0.128606D+01 -0.276310D+01 -0.793277D+01
      4  -0.243269D+01 -0.265368D+01  0.133646D+02  0.115401D+02 -0.261783D+01
      5  -0.309594D+01 -0.189828D+01  0.156182D+01  0.273155D+01 -0.197133D+01
      6  -0.290088D+00  0.883962D+01  0.116849D+02  0.581263D+01 -0.173742D+01
                71            72            73            74            75 
      1  -0.265408D+01  0.796595D+00  0.132285D+02 -0.129620D+02  0.117117D+02
      2   0.248879D+01  0.584131D+01 -0.143970D+02  0.930035D+01 -0.108687D+02
      3   0.165291D+00 -0.663791D+01  0.116851D+01  0.366169D+01 -0.843010D+00
      4   0.620665D+01 -0.136820D+01 -0.520100D+01 -0.448307D+00 -0.971059D+00
      5   0.174115D+01 -0.520784D+01  0.105005D+02 -0.295552D+01  0.747622D+01
      6   0.336440D+01 -0.400538D+01 -0.745410D+01 -0.138461D+01 -0.142152D+01
                76            77            78            79            80 
      1  -0.656407D+01  0.210091D+01  0.190047D+01  0.539061D+01  0.307709D-01
      2   0.469246D+01 -0.851223D+01  0.236705D+00 -0.548694D+01 -0.737231D+00
      3   0.187161D+01  0.641132D+01 -0.213717D+01  0.963314D-01  0.706461D+00
      4  -0.382818D+00  0.113489D+02  0.171565D+01 -0.110620D+01  0.140391D+00
      5  -0.196889D+01  0.258032D+01 -0.167901D+01  0.568902D+01  0.290518D+00
      6  -0.285964D+00  0.444859D+01  0.357516D+01 -0.187194D+00  0.337220D+01
                81            82            83            84            85 
      1   0.102533D+02 -0.642623D+01 -0.171809D+01 -0.984554D+01 -0.846061D+00
      2   0.441623D+01  0.102975D+02  0.432726D+01  0.714501D+01  0.112016D+00
      3  -0.146695D+02 -0.387129D+01 -0.260917D+01  0.270053D+01  0.734046D+00
      4   0.131643D+01 -0.106562D+02  0.548821D+01 -0.817232D+01  0.913700D+01
      5  -0.699352D+01 -0.259685D+01 -0.113045D+02  0.252528D+01 -0.107854D+02
      6   0.250332D+01 -0.376539D+01  0.511951D+01 -0.633255D+01  0.414730D+01
                86            87            88            89            90 
      1  -0.639550D+01 -0.538344D+01 -0.824892D+01 -0.558040D+01  0.607504D+01
      2   0.448221D+01 -0.450481D+01  0.422499D+01 -0.124358D+01  0.175186D+01
      3   0.191328D+01  0.988825D+01  0.402393D+01  0.682398D+01 -0.782690D+01
      4  -0.715249D+01  0.941861D+01 -0.333613D+01  0.642261D+01 -0.225959D+01
      5   0.447827D+01 -0.318498D+01  0.188890D+01 -0.891653D+00 -0.111924D+01
      6  -0.313927D+01  0.885455D+00 -0.432337D+01 -0.497392D-02  0.622167D+01
                91            92            93            94            95 
      1  -0.689449D+01 -0.144766D+01  0.134245D+02 -0.165121D+01 -0.111164D+01
      2   0.152159D+01  0.174859D+01 -0.174840D+02  0.542043D+01  0.114645D+01
      3   0.537290D+01 -0.300934D+00  0.405950D+01 -0.376923D+01 -0.348133D-01
      4   0.117575D+02 -0.805483D+01  0.828874D+01 -0.132778D+02  0.899702D+01
      5   0.349557D+01  0.130592D+02 -0.847252D+01  0.137535D+02 -0.122020D+02
      6   0.154398D+01 -0.148109D+02  0.921968D+01 -0.151790D+02  0.117890D+02
                96            97            98            99           100 
      1   0.672122D+01  0.160623D+02  0.772831D+01 -0.868139D+01  0.289149D+01
      2   0.663312D+01 -0.202215D+02  0.473544D+01  0.452062D+01 -0.245964D+01
      3  -0.133543D+02  0.415925D+01 -0.124638D+02  0.416077D+01 -0.431849D+00
      4  -0.202606D+02  0.130036D+02 -0.249995D+02  0.105399D+02 -0.327793D+01
      5   0.165222D+01 -0.129088D+02  0.416669D+01 -0.148448D+01 -0.144033D+01
      6  -0.504882D+01  0.117911D+02 -0.539200D+01  0.221584D+01  0.495833D+01
               101           102           103           104           105 
      1  -0.386981D+01 -0.107399D+02 -0.217687D+01  0.153391D+02  0.290833D+01
      2   0.545223D+01  0.200247D+02  0.377533D+00 -0.225233D+02 -0.136744D+02
      3  -0.158242D+01 -0.928477D+01  0.179934D+01  0.718423D+01  0.107661D+02
      4  -0.691022D+01  0.324035D+00 -0.273983D+01  0.102731D+02  0.201761D+02
      5  -0.338498D+01 -0.108802D+01 -0.353537D+01  0.875906D+01  0.418411D+01
      6   0.178611D+02 -0.343689D+01  0.173419D+02 -0.188740D+02 -0.111451D+02
               106           107           108           109           110 
      1  -0.140261D+02  0.760369D+01  0.980544D+01  0.275951D+01  0.472356D+01
      2   0.222575D+02 -0.180144D+02 -0.133334D+02 -0.224065D+01 -0.386207D+01
      3  -0.823138D+01  0.104107D+02  0.352798D+01 -0.518856D+00 -0.861496D+00
      4   0.177680D+01  0.242838D+02 -0.136371D+01 -0.719575D+01  0.115745D+01
      5  -0.453610D+00  0.362099D+01  0.108162D+01 -0.276729D+01 -0.285195D+01
      6  -0.394358D+01 -0.163026D+02 -0.113690D+01 -0.649506D+01 -0.808702D+01
               111           112           113           114           115 
      1   0.103161D+01  0.437956D+01 -0.978238D+01 -0.470773D+01  0.196955D+01
      2  -0.108259D+02 -0.460937D+00  0.110484D+02  0.739224D+01 -0.988923D+01
      3   0.979428D+01 -0.391863D+01 -0.126599D+01 -0.268452D+01  0.791967D+01
      4  -0.232551D+01 -0.260606D+01 -0.134197D+02 -0.115762D+02 -0.254236D+01
      5  -0.306296D+01 -0.186194D+01 -0.160960D+01 -0.276744D+01 -0.194844D+01
      6   0.224327D+00 -0.890444D+01  0.115977D+02  0.583160D+01  0.168795D+01
               116           117           118           119           120 
      1  -0.260475D+01  0.790964D+00  0.313915D+02 -0.244200D+01  0.103105D+02
      2   0.237298D+01  0.589247D+01 -0.178463D+02  0.511336D+01 -0.729591D+01
      3   0.231769D+00 -0.668343D+01 -0.135452D+02 -0.267136D+01 -0.301462D+01
      4  -0.623693D+01  0.131238D+01  0.158612D+02  0.733617D+01  0.322159D+01
      5  -0.177481D+01  0.521014D+01  0.104651D+02 -0.176046D+01  0.946974D+01
      6   0.339733D+01 -0.396296D+01  0.504586D+01 -0.692559D+00  0.533985D+01
               121           122           123           124           125 
      1  -0.844402D+01  0.634878D+01 -0.414475D+01  0.170494D+02 -0.312798D+01
      2   0.740872D+01 -0.569274D+01  0.259370D+01 -0.125073D+02  0.451070D+01
      3   0.103530D+01 -0.656039D+00  0.155105D+01 -0.454214D+01 -0.138272D+01
      4   0.343965D+01 -0.425706D+00 -0.923202D-03  0.739673D+01  0.209530D+01
      5  -0.335133D+01  0.227247D+01 -0.222018D+01  0.131628D+02  0.185344D+00
      6  -0.165470D+01  0.580165D+00  0.283690D+00  0.757595D+01  0.197519D+01
               126           127           128           129           130 
      1   0.913025D+01  0.141177D+02  0.660338D+01 -0.361211D+01  0.273430D+01
      2  -0.763535D+01 -0.713105D-01  0.445194D+01 -0.821685D+00  0.100268D+02
      3  -0.149490D+01 -0.140463D+02 -0.110553D+02  0.443380D+01 -0.127611D+02
      4   0.563363D+01  0.279114D+02  0.226932D+02 -0.121223D+02  0.250925D+02
      5   0.122696D+02 -0.109716D+02 -0.900974D+01  0.986177D+01 -0.871166D+01
      6   0.777283D+01 -0.106975D+02 -0.923727D+01  0.822732D+01 -0.115812D+02
               131           132           133           134           135 
      1  -0.618187D+01  0.127006D+01 -0.270914D+01  0.145889D+01 -0.660118D-02
      2   0.232563D+02 -0.702450D+01 -0.305146D+01 -0.811135D+01  0.208453D+01
      3  -0.170745D+02  0.575443D+01  0.576060D+01  0.665246D+01 -0.207793D+01
      4   0.316561D+02 -0.141504D+02 -0.190929D+02 -0.196693D+02  0.165980D+02
      5  -0.110008D+02  0.791213D+01  0.145629D+02  0.118323D+02 -0.145846D+02
      6  -0.166250D+02  0.124861D+02  0.141262D+02  0.163996D+02 -0.171353D+02
               136           137           138           139           140 
      1  -0.516461D+01  0.854392D+01 -0.372226D+01  0.489235D+01 -0.155236D+02
      2   0.795210D+01 -0.154162D+02  0.622767D+01 -0.814872D+01  0.257794D+02
      3  -0.278749D+01  0.687226D+01 -0.250541D+01  0.325637D+01 -0.102558D+02
      4  -0.146461D+02  0.811897D+01 -0.601365D+01  0.636681D+01 -0.487774D+01
      5   0.148008D+01 -0.348220D+00  0.148438D+01 -0.370885D+00  0.924382D+00
      6  -0.750259D+01  0.656331D+01 -0.750476D+01  0.447818D+01 -0.716791D+01
               141           142           143           144           145 
      1   0.460947D+01 -0.642673D+01  0.974189D+01 -0.843868D+01 -0.173519D+01
      2  -0.631379D+01  0.707652D+01 -0.139623D+02  0.921757D+01  0.803609D+01
      3   0.170433D+01 -0.649787D+00  0.422044D+01 -0.778890D+00 -0.630090D+01
      4   0.377196D+01 -0.877612D+01  0.579890D+01 -0.497645D+01  0.118753D+02
      5   0.397870D+00  0.182455D+01  0.508594D+00 -0.238241D+00  0.328604D+01
      6   0.826182D+01 -0.702616D+01  0.137149D+02 -0.152913D+02  0.542639D+01
               146           147           148           149           150 
      1  -0.251419D+01 -0.177734D+01 -0.372755D+01 -0.318546D+02 -0.110534D+02
      2   0.110382D+02  0.453067D+01  0.106066D+02  0.590953D+02  0.180520D+02
      3  -0.852398D+01 -0.275333D+01 -0.687909D+01 -0.272407D+02 -0.699864D+01
      4   0.183977D+02  0.628999D+01  0.131019D+02  0.250058D+02  0.911208D+01
      5   0.515169D+01  0.448398D+01  0.310924D+01  0.868251D+01  0.500738D+01
      6   0.771551D+01  0.458630D+01  0.690135D+01  0.258104D+02  0.167931D+02
               151           152           153           154           155 
      1  -0.293474D+01 -0.168921D+02 -0.121185D+02 -0.526856D+01 -0.857586D+01
      2   0.581951D+01  0.257628D+02  0.148368D+02  0.806072D+01  0.154413D+02
      3  -0.288476D+01 -0.887071D+01 -0.271828D+01 -0.279216D+01 -0.686544D+01
      4   0.680249D+01  0.146800D+02  0.855042D+01  0.145115D+02  0.812314D+01
      5   0.435987D+01  0.780561D+01  0.679729D+01 -0.142332D+01 -0.332651D+00
      6   0.563572D+01  0.250676D+02  0.194340D+02 -0.742138D+01 -0.658653D+01
               156           157           158           159           160 
      1   0.376247D+01 -0.490464D+01 -0.156984D+02  0.464189D+01  0.647197D+01
      2  -0.628578D+01  0.813872D+01  0.260677D+02 -0.636478D+01 -0.713402D+01
      3   0.252330D+01 -0.323407D+01 -0.103693D+02  0.172289D+01  0.662044D+00
      4  -0.592991D+01  0.639864D+01  0.478506D+01 -0.376134D+01 -0.867139D+01
      5   0.144690D+01 -0.360000D+00 -0.884738D+00 -0.429176D+00  0.178726D+01
      6   0.744634D+01 -0.449453D+01 -0.720287D+01  0.830886D+01  0.694009D+01
               161           162           163           164           165 
      1   0.981408D+01 -0.847251D+01 -0.166112D+01  0.249817D+01  0.178141D+01
      2  -0.140636D+02  0.929633D+01  0.801253D+01 -0.110926D+02 -0.457257D+01
      3   0.424947D+01 -0.823819D+00 -0.635141D+01  0.859447D+01  0.279116D+01
      4  -0.575751D+01  0.487400D+01 -0.120617D+02  0.185086D+02  0.638987D+01
      5  -0.557483D+00  0.302327D+00 -0.336739D+01  0.523037D+01  0.455113D+01
      6   0.137579D+02 -0.152331D+02  0.550915D+01 -0.782263D+01 -0.468199D+01
               166           167           168           169           170 
      1   0.373708D+01 -0.315204D+02 -0.109804D+02  0.295382D+01 -0.167809D+02
      2  -0.106758D+02  0.585630D+02  0.179509D+02 -0.587605D+01  0.256180D+02
      3   0.693874D+01 -0.270426D+02 -0.697046D+01  0.292223D+01 -0.883710D+01
      4   0.131951D+02 -0.251759D+02 -0.922021D+01  0.692947D+01 -0.148576D+02
      5   0.317164D+01 -0.876650D+01 -0.507259D+01  0.443778D+01 -0.791999D+01
      6  -0.699237D+01  0.257430D+02  0.167930D+02 -0.575887D+01  0.250779D+02
               171           172           173           174           175 
      1  -0.120835D+02  0.315083D+02  0.248778D+01 -0.102958D+02  0.850005D+01
      2   0.147750D+02 -0.179504D+02 -0.510661D+01  0.729780D+01 -0.741269D+01
      3  -0.269143D+01 -0.135578D+02  0.261883D+01  0.299797D+01 -0.108736D+01
      4  -0.869978D+01 -0.157063D+02  0.730047D+01  0.313412D+01  0.343104D+01
      5  -0.691777D+01 -0.104438D+02 -0.179893D+01  0.945752D+01 -0.337858D+01
      6   0.195127D+02  0.498437D+01  0.705844D+00 -0.528861D+01  0.166069D+01
               176           177           178           179           180 
      1   0.647808D+01 -0.420959D+01 -0.170357D+02 -0.323535D+01  0.916748D+01
      2  -0.587667D+01  0.266840D+01  0.125133D+02  0.462635D+01 -0.770386D+01
      3  -0.601405D+00  0.154120D+01  0.452238D+01 -0.139100D+01 -0.146362D+01
      4   0.675055D+00 -0.702283D-01  0.724672D+01 -0.217259D+01 -0.548865D+01
      5  -0.239456D+01  0.231424D+01  0.131492D+02 -0.479830D-01 -0.122966D+02
      6   0.596777D+00  0.245158D+00 -0.750154D+01  0.191289D+01  0.770621D+01
               181           182           183           184           185 
      1   0.143643D+02 -0.669439D+01  0.369009D+01 -0.284283D+01 -0.598597D+01
      2  -0.203961D+00 -0.440589D+01  0.775057D+00 -0.995540D+01  0.230184D+02
      3  -0.141604D+02  0.111003D+02 -0.446515D+01  0.127982D+02 -0.170324D+02
      4  -0.280624D+02  0.227510D+02 -0.121733D+02  0.251678D+02 -0.316374D+02
      5   0.110654D+02 -0.905538D+01  0.990940D+01 -0.875804D+01  0.109896D+02
      6  -0.107290D+02  0.923221D+01 -0.822750D+01  0.115735D+02 -0.165046D+02
               186           187           188           189           190 
      1   0.117020D+01  0.283221D+01  0.131538D+01  0.111327D+00  0.198026D+02
      2  -0.691578D+01  0.295525D+01 -0.794865D+01  0.197427D+01 -0.161353D+02
      3   0.574558D+01 -0.578746D+01  0.663327D+01 -0.208560D+01 -0.366731D+01
      4   0.141343D+02 -0.191518D+02  0.196196D+02 -0.165832D+02  0.152435D+01
      5  -0.791608D+01  0.146321D+02 -0.118219D+02  0.146155D+02  0.150803D+02
      6   0.124200D+02 -0.141140D+02  0.162920D+02 -0.170520D+02  0.821606D+00
               191           192           193           194           195 
      1   0.528903D+01  0.735652D+01  0.781590D+01  0.553271D+01  0.362620D+01
      2  -0.700335D+01 -0.896393D+01 -0.865772D+01 -0.631061D+01 -0.578724D+01
      3   0.171432D+01  0.160741D+01  0.841814D+00  0.777892D+00  0.216103D+01
      4   0.606654D+01  0.178689D+01  0.130650D+01  0.720538D+01  0.825789D+00
      5   0.465905D+01  0.101305D+02  0.106324D+02  0.320760D+01  0.711975D+01
      6   0.141992D+01 -0.541369D+00  0.990145D+00  0.283680D+01  0.341186D+00
               196           197           198           199           200 
      1   0.325542D+01  0.127440D+01  0.200666D+01 -0.254732D+01 -0.226339D+01
      2  -0.653383D+01 -0.203959D+01 -0.779412D+01 -0.154378D+01  0.127320D+01
      3   0.327841D+01  0.765191D+00  0.578746D+01  0.409110D+01  0.990195D+00
      4   0.292042D+01  0.508797D+00  0.202271D+01  0.587852D+01 -0.270654D+01
      5   0.760279D+01  0.354941D+01  0.855149D+01 -0.238262D+01  0.209524D+01
      6   0.436914D+00  0.135829D+01 -0.556373D+00 -0.897776D-01 -0.309181D+01
               201           202           203           204           205 
      1   0.688632D+01 -0.532594D+00 -0.494970D+01  0.605452D+01  0.268837D+01
      2   0.109220D+01 -0.422611D+00  0.203289D+01 -0.884041D+00 -0.133642D+01
      3  -0.797852D+01  0.955205D+00  0.291681D+01 -0.517048D+01 -0.135195D+01
      4   0.322707D+00  0.135254D+01 -0.171595D+01  0.470669D+00 -0.295161D+01
      5  -0.257090D+00  0.380721D+00  0.939616D+00 -0.174043D+01  0.410884D+01
      6   0.560729D+01 -0.552736D+00 -0.578261D+01  0.847289D+01 -0.169217D+00
               206           207           208           209           210 
      1   0.526930D+01 -0.175029D+02 -0.436683D+00 -0.683371D+01 -0.424639D+01
      2  -0.192622D+00 -0.109916D+02  0.425969D-01  0.884410D+01  0.173714D+01
      3  -0.507668D+01  0.284945D+02  0.394086D+00 -0.201038D+01  0.250926D+01
      4   0.291465D+01  0.635427D+00  0.173968D+02  0.715061D+01  0.791660D+01
      5  -0.208419D+01  0.107783D+02  0.888575D+01  0.544709D+01  0.546347D+01
      6   0.704619D+01 -0.167450D+02  0.936181D+01  0.104894D+02  0.975175D+01
               211           212           213           214           215 
      1  -0.186315D+01 -0.299680D+01 -0.164896D+01 -0.163286D+01 -0.121123D+01
      2   0.273422D+01  0.656743D+01  0.124937D+01 -0.666452D+00 -0.136224D+01
      3  -0.871064D+00 -0.357064D+01  0.399587D+00  0.229931D+01  0.257347D+01
      4   0.757494D+01  0.755875D+01  0.473204D+01  0.432815D+01  0.393222D+01
      5   0.297457D+01  0.299227D+01  0.223863D+01  0.456168D+01  0.213286D+01
      6   0.524457D+01  0.475786D+01  0.509325D+01  0.539004D+01  0.463324D+01
               216           217           218           219           220 
      1  -0.374597D+01 -0.493602D+00  0.306910D+01  0.231072D+01  0.213537D+00
      2  -0.192277D+01 -0.348598D+01 -0.399555D+01  0.602920D+01 -0.128146D+01
      3   0.566874D+01  0.397958D+01  0.926454D+00 -0.833992D+01  0.106793D+01
      4   0.529185D+01 -0.349513D+01  0.412946D+01  0.423397D+01  0.512192D+00
      5   0.358020D+01 -0.474570D+01  0.170648D+01  0.808233D+01  0.306875D+00
      6   0.800437D+01  0.422210D+01 -0.287164D+01 -0.678396D+01 -0.680745D-01
               221           222           223           224           225 
      1   0.270536D+01  0.158897D+01  0.171286D+01 -0.446870D+01 -0.113812D+02
      2  -0.563439D+01  0.230964D+01  0.348594D+01  0.294627D+01 -0.157186D+02
      3   0.292903D+01 -0.389861D+01 -0.519880D+01  0.152242D+01  0.270998D+02
      4   0.192253D+01  0.700632D+00  0.352083D+01 -0.177152D+01 -0.265504D+01
      5  -0.134754D+01  0.901536D+00  0.550944D+01 -0.101693D+01 -0.948179D+01
      6  -0.204086D+01  0.562306D+00 -0.311884D+01  0.593345D+01  0.179444D+02
               226           227           228           229           230 
      1  -0.790662D+00 -0.390506D+00 -0.136393D+01 -0.553518D+01 -0.114146D+02
      2   0.428115D+01 -0.224123D+01  0.172010D+01  0.150577D+01  0.207268D+02
      3  -0.349049D+01  0.263174D+01 -0.356167D+00  0.402941D+01 -0.931214D+01
      4  -0.287688D+01  0.528823D+01  0.286095D+00  0.803318D+01 -0.203616D+02
      5  -0.156148D+01 -0.307096D+00 -0.902651D-01 -0.458750D+01  0.258230D+01
      6   0.420756D+00  0.498470D+00 -0.142965D+00  0.350713D+01 -0.117591D+02
               231           232           233           234           235 
      1   0.156329D+01 -0.510093D+01  0.203954D+01 -0.399665D+01 -0.272678D+01
      2  -0.106777D+00  0.351488D+01  0.935054D+00  0.228034D+01 -0.615334D-01
      3  -0.145651D+01  0.158605D+01 -0.297460D+01  0.171631D+01  0.278831D+01
      4   0.398056D+01  0.176738D+01 -0.206054D+01 -0.184608D+01  0.100204D+01
      5  -0.443954D+01 -0.127981D+01 -0.177524D+01 -0.331276D-01  0.487089D-01
      6   0.520131D+01  0.174158D+00  0.264114D+01 -0.182741D+01  0.128070D+01
               236           237           238           239           240 
      1   0.889099D+00  0.341709D+01  0.351809D+01 -0.341049D+01  0.104736D+01
      2  -0.161586D+01  0.954906D+00 -0.361252D+01  0.692531D+00 -0.315138D+01
      3   0.726758D+00 -0.437200D+01  0.944281D-01  0.271796D+01  0.210402D+01
      4  -0.500118D+00  0.156406D+00  0.724885D+00 -0.862084D+00  0.222215D+01
      5   0.125504D+01  0.175962D+01  0.180684D+01  0.149091D+01  0.168627D+01
      6  -0.747431D+00  0.176344D+01  0.394440D-01 -0.187315D+01  0.442436D+01
               241           242           243           244           245 
      1   0.397536D+01  0.369487D+01 -0.200201D+02 -0.304032D+00  0.684102D+01
      2  -0.550477D+01  0.610648D+00 -0.154547D+02 -0.969942D-01 -0.887020D+01
      3   0.152941D+01 -0.430552D+01  0.354748D+02  0.401026D+00  0.202917D+01
      4  -0.147968D+01  0.332742D+01 -0.245367D+01 -0.174578D+02  0.718503D+01
      5   0.641836D+01 -0.362413D+01  0.207857D+02 -0.897808D+01  0.544850D+01
      6  -0.129206D+01  0.520331D+01 -0.966627D+01  0.939520D+01 -0.104721D+02
               246           247           248           249           250 
      1   0.419079D+01  0.185032D+01 -0.289689D+01 -0.161337D+01  0.159921D+01
      2  -0.167689D+01 -0.274043D+01  0.645015D+01  0.121769D+01  0.710954D+00
      3  -0.251389D+01  0.890104D+00 -0.355327D+01  0.395674D+00 -0.231016D+01
      4   0.796994D+01  0.755524D+01 -0.754371D+01 -0.471908D+01  0.435442D+01
      5   0.552078D+01  0.295866D+01 -0.298865D+01 -0.223306D+01  0.459878D+01
      6  -0.976284D+01 -0.522682D+01  0.469012D+01  0.506287D+01 -0.539485D+01
               251           252           253           254           255 
      1  -0.119900D+01 -0.372075D+01 -0.500764D+00 -0.311560D+01 -0.235192D+01
      2  -0.137669D+01 -0.195446D+01 -0.348918D+01  0.403127D+01 -0.601531D+01
      3   0.257569D+01  0.567521D+01  0.398994D+01 -0.915675D+00  0.836723D+01
      4  -0.392177D+01 -0.530335D+01  0.350279D+01  0.412908D+01  0.426968D+01
      5  -0.213137D+01 -0.361284D+01  0.474038D+01  0.172026D+01  0.808081D+01
      6   0.462789D+01  0.801499D+01  0.424551D+01  0.291084D+01  0.684396D+01
               256           257           258           259           260 
      1  -0.233349D+00  0.270772D+01  0.157224D+01 -0.172734D+01 -0.450099D+01
      2   0.129782D+01 -0.562144D+01  0.226989D+01 -0.348199D+01  0.293865D+01
      3  -0.106447D+01  0.291372D+01 -0.384213D+01  0.520933D+01  0.156235D+01
      4   0.535319D+00 -0.186440D+01 -0.684320D+00  0.353592D+01  0.176669D+01
      5   0.320001D+00  0.136404D+01 -0.869627D+00  0.550565D+01  0.102701D+01
      6   0.964736D-01 -0.200632D+01  0.599539D+00  0.313739D+01  0.597275D+01
               261           262           263           264           265 
      1  -0.113991D+02  0.199127D+02 -0.527819D+01 -0.737949D+01 -0.778048D+01
      2  -0.156693D+02 -0.161886D+02  0.694013D+01  0.898979D+01  0.857732D+01
      3   0.270683D+02 -0.372409D+01 -0.166193D+01 -0.161030D+01 -0.796840D+00
      4   0.269719D+01 -0.146537D+01  0.617637D+01  0.168095D+01  0.134318D+01
      5   0.944245D+01 -0.150822D+02  0.454415D+01  0.101363D+02  0.105357D+02
      6   0.180169D+02  0.784419D+00 -0.139413D+01  0.556530D+00 -0.953708D+00
               266           267           268           269           270 
      1   0.550008D+01  0.362630D+01 -0.327183D+01  0.128497D+01  0.201443D+01
      2  -0.609392D+01 -0.582378D+01  0.654007D+01 -0.209683D+01 -0.770736D+01
      3   0.593843D+00  0.219748D+01 -0.326823D+01  0.811866D+00  0.569293D+01
      4  -0.747970D+01 -0.622673D+00  0.287217D+01 -0.312029D+00 -0.207171D+01
      5  -0.294162D+01 -0.715383D+01  0.759045D+01 -0.362364D+01 -0.842594D+01
      6   0.275504D+01  0.339107D+00 -0.431049D+00  0.136562D+01 -0.585332D+00
               271           272           273           274           275 
      1  -0.250337D+01  0.226162D+01 -0.688083D+01  0.516957D+00 -0.492101D+01
      2  -0.159125D+01 -0.129699D+01 -0.109434D+01  0.421418D+00  0.200604D+01
      3   0.409462D+01 -0.964629D+00  0.797518D+01 -0.938375D+00  0.291497D+01
      4  -0.586222D+01 -0.272323D+01  0.311906D+00  0.131409D+01  0.169988D+01
      5   0.236099D+01  0.210150D+01 -0.243940D+00  0.398075D+00 -0.924771D+00
      6  -0.790051D-01  0.308757D+01 -0.559630D+01  0.557754D+00 -0.573065D+01
               276           277           278           279           280 
      1   0.599664D+01 -0.266755D+01  0.523995D+01 -0.174959D+02  0.613395D+01
      2  -0.880789D+00  0.133291D+01 -0.206455D+00 -0.110684D+02 -0.321082D+01
      3  -0.511585D+01  0.133464D+01 -0.503350D+01  0.285643D+02 -0.292314D+01
      4  -0.464365D+00 -0.296686D+01 -0.292153D+01 -0.652102D+00  0.428892D+01
      5   0.171358D+01  0.412260D+01  0.207875D+01 -0.108009D+02  0.765211D+01
      6   0.841869D+01  0.188653D+00  0.702238D+01 -0.167480D+02  0.200695D+01
               281           282           283           284           285 
      1   0.330357D+01  0.646651D+01  0.755048D+01 -0.513974D+00 -0.192885D+01
      2  -0.115150D+01 -0.353615D+01 -0.379606D+01  0.354464D+01 -0.418339D+00
      3  -0.215207D+01 -0.293035D+01 -0.375443D+01 -0.303067D+01  0.234719D+01
      4   0.517125D+01  0.182172D+01  0.114623D+02  0.241215D+02  0.122159D+02
      5   0.239266D+01  0.485408D+01  0.627605D+01  0.130434D+02  0.143552D+02
      6   0.839804D+00  0.720042D+00  0.425768D+01  0.117526D+02  0.821249D+01
               286           287           288           289           290 
      1   0.801243D+01 -0.187119D+01 -0.925792D+00  0.640125D+02 -0.160782D+02
      2  -0.593152D+01 -0.919596D+00 -0.372682D+01 -0.350969D+02  0.779278D+01
      3  -0.208091D+01  0.279079D+01  0.465262D+01 -0.289156D+02  0.828538D+01
      4   0.352759D+01  0.889817D+01  0.877255D+01 -0.209768D+02  0.130887D+02
      5   0.845761D+01  0.922548D+01  0.132795D+02  0.267096D+02 -0.713261D+01
      6   0.222186D+01  0.742945D+01  0.679988D+01 -0.454292D+01  0.299722D+01
               291           292           293           294           295 
      1   0.165051D+02 -0.256251D+02  0.125297D+02 -0.687772D+01  0.145749D+02
      2  -0.106736D+02  0.127715D+02 -0.515275D+01  0.463428D+01 -0.113580D+02
      3  -0.583151D+01  0.128536D+02 -0.737692D+01  0.224344D+01 -0.321694D+01
      4  -0.612713D+01  0.199026D+02 -0.133834D+02  0.871952D+01 -0.574392D+01
      5   0.167385D+02 -0.121925D+02  0.967170D+01 -0.767902D+01  0.205689D+02
      6  -0.192151D+01  0.534456D+01 -0.346258D+01  0.424747D+01 -0.307665D+01
               296           297           298           299           300 
      1  -0.363440D+01  0.115009D+02  0.637721D+02  0.162141D+02 -0.163850D+02
      2   0.326596D+01 -0.941386D+01 -0.348573D+02 -0.781564D+01  0.105614D+02
      3   0.368440D+00 -0.208700D+01 -0.289149D+02 -0.839844D+01  0.582363D+01
      4   0.578973D+01 -0.560207D+01  0.212771D+02  0.132466D+02 -0.617820D+01
      5  -0.596061D+01  0.128556D+02 -0.265188D+02 -0.716229D+01  0.166338D+02
      6   0.369812D+01 -0.273581D+01 -0.459465D+01 -0.302271D+01  0.195829D+01
               301           302           303           304           305 
      1   0.257405D+02  0.126286D+02 -0.686098D+01 -0.144640D+02 -0.363281D+01
      2  -0.127528D+02 -0.513250D+01  0.459466D+01  0.112450D+02  0.325237D+01
      3  -0.129877D+02 -0.749606D+01  0.226632D+01  0.321896D+01  0.380443D+00
      4   0.201227D+02  0.136074D+02 -0.876842D+01 -0.580370D+01 -0.582771D+01
      5  -0.122015D+02 -0.970898D+01  0.770493D+01  0.204673D+02  0.601248D+01
      6  -0.538140D+01 -0.351968D+01  0.426744D+01  0.313356D+01  0.372432D+01
               306           307           308           309           310 
      1   0.114348D+02  0.620409D+01 -0.338276D+01 -0.645986D+01 -0.770708D+01
      2  -0.932832D+01 -0.320900D+01  0.122019D+01  0.353837D+01  0.392462D+01
      3  -0.210645D+01 -0.299508D+01  0.216257D+01  0.292149D+01  0.378246D+01
      4   0.567418D+01 -0.432747D+01  0.527968D+01  0.184590D+01  0.115736D+02
      5  -0.127588D+02 -0.766592D+01  0.245943D+01  0.491609D+01  0.638055D+01
      6  -0.277240D+01  0.201099D+01 -0.877645D+00 -0.746248D+00 -0.428577D+01
               311           312           313           314           315 
      1  -0.325929D+00 -0.179678D+01 -0.802927D+01 -0.179580D+01 -0.828753D+00
      2   0.338729D+01 -0.521733D+00  0.595462D+01 -0.977521D+00 -0.379058D+01
      3  -0.306136D+01  0.231851D+01  0.207465D+01  0.277332D+01  0.461934D+01
      4  -0.241190D+02 -0.122269D+02  0.352917D+01 -0.889836D+01 -0.877237D+01
      5  -0.130553D+02 -0.143874D+02  0.851363D+01 -0.923332D+01 -0.133056D+02
      6   0.116697D+02  0.813978D+01 -0.223540D+01  0.737695D+01  0.673836D+01
               316           317           318           319           320 
      1  -0.268693D+01 -0.895199D+00 -0.340301D+01 -0.353619D+01 -0.342077D+01
      2  -0.945632D-01  0.160952D+01 -0.935479D+00  0.363317D+01  0.707194D+00
      3   0.278150D+01 -0.714322D+00  0.433849D+01 -0.969814D-01  0.271357D+01
      4  -0.101378D+01 -0.516970D+00  0.157662D+00  0.690952D+00  0.833215D+00
      5  -0.740951D-01  0.125735D+01  0.178750D+01  0.182746D+01 -0.147506D+01
      6   0.128807D+01  0.752587D+00 -0.175772D+01 -0.237384D-01 -0.185047D+01
               321           322           323           324           325 
      1   0.101463D+01 -0.396384D+01  0.366138D+01 -0.200102D+02 -0.842970D+00
      2  -0.318913D+01  0.550867D+01  0.596036D+00 -0.154791D+02  0.428304D+01
      3   0.217449D+01 -0.154483D+01 -0.425742D+01  0.354893D+02 -0.344007D+01
      4  -0.220972D+01 -0.149838D+01 -0.332245D+01  0.241772D+01  0.282531D+01
      5  -0.173805D+01  0.642666D+01  0.360647D+01 -0.208138D+02  0.157195D+01
      6   0.439813D+01  0.130007D+01  0.519761D+01 -0.967215D+01  0.416452D+00
               326           327           328           329           330 
      1   0.390135D+00  0.134680D+01  0.550695D+01 -0.115484D+02  0.163556D+01
      2   0.222539D+01 -0.170057D+01 -0.147830D+01  0.208255D+02 -0.197868D+00
      3  -0.261552D+01  0.353769D+00 -0.402864D+01 -0.927709D+01 -0.143769D+01
      4   0.517851D+01  0.294427D+00  0.795837D+01  0.203384D+02 -0.399052D+01
      5  -0.288800D+00 -0.988784D-01 -0.456383D+01 -0.260564D+01  0.442679D+01
      6  -0.433263D+00  0.132319D+00 -0.346227D+01 -0.118651D+02  0.523418D+01
               331           332           333 
      1   0.507054D+01  0.206905D+01 -0.401227D+01
      2  -0.348962D+01  0.892996D+00  0.227562D+01
      3  -0.158093D+01 -0.296205D+01  0.173665D+01
      4   0.177195D+01  0.204410D+01  0.183536D+01
      5  -0.126849D+01  0.176160D+01  0.140688D-01
      6  -0.175592D+00  0.265961D+01 -0.185328D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.890861D-02      0.226434D-01      0.755303D-01
   y         -0.800529D-04     -0.203474D-03     -0.678716D-03
   z          0.100325D-03      0.255002D-03      0.850594D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.150517D+03      0.223043D+02      0.248169D+02
   yx        -0.754235D-03     -0.111766D-03     -0.124356D-03
   yy         0.149050D+03      0.220869D+02      0.245749D+02
   zx        -0.156812D-02     -0.232371D-03     -0.258547D-03
   zy         0.598749D-01      0.887254D-02      0.987204D-02
   zz         0.118804D+03      0.176049D+02      0.195881D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143221D+03      0.212232D+02      0.236139D+02
   aniso      0.315373D+02      0.467335D+01      0.519981D+01
   xx         0.154454D+03      0.228877D+02      0.254660D+02
   yx        -0.147843D-03     -0.219081D-04     -0.243760D-04
   yy         0.152996D+03      0.226716D+02      0.252256D+02
   zx        -0.194925D-02     -0.288849D-03     -0.321388D-03
   zy         0.818091D-01      0.121229D-01      0.134885D-01
   zz         0.122213D+03      0.181101D+02      0.201502D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.35877401          0.08788376         -5.46357659
     6         -1.47772948         -0.20504003         -5.43126830
     7         -2.22504686         -1.46968958         -2.99423412
    45         -0.00105609          0.00023177          0.00035199
     7          2.20894566          1.85361184          2.78749118
     6          0.79117946          4.11834554          3.76473204
     6         -0.51397037          5.38451931          1.56710704
     7         -2.06317300          3.43142715          0.19865746
     7          2.15504566          1.40731295         -3.07171072
     7         -2.14754557         -1.79726140          2.87209759
     6         -0.70366314         -4.03716438          3.86818416
     6          0.55530996         -5.35005810          1.67094759
     7          2.06794465         -3.42522795          0.22379728
     1         -0.56962142          3.46273310          5.16672248
     1          2.07807240          5.41565759          4.71751425
     1          0.85420626          6.16372377          0.23694819
     1         -1.71000739          6.93822435          2.20158996
     1         -0.84015191         -6.16267229          0.39010479
     1          1.76970047         -6.88606436          2.31358653
     1          0.68620151         -3.34809181          5.22484570
     1         -1.96639072         -5.31486827          4.87808581
     1         -2.63270866         -0.66650490          4.35461399
     1         -3.83078621         -2.41895327          2.16705436
     1          2.58068600         -4.17877258         -1.47373911
     1          3.73901844         -3.13819974          1.14137995
     1          1.90604036          3.30388580         -3.30529757
     1          4.05778902          1.19081705         -2.85282106
     1         -2.61559017          4.14870027         -1.50213843
     1         -3.71200974          3.16656617          1.16195061
     1          2.72192455          0.75388310          4.28384604
     1          3.87879014          2.45546235          2.03487456
     1          2.30263937         -1.74285178         -5.52284904
     1          1.98195758          1.15296126         -7.11404937
     1         -2.13438159         -1.30725914         -7.04394006
     1         -2.42298038          1.62414666         -5.51292244
     1         -4.12217698         -1.24341948         -2.73943298
     1         -1.98530439         -3.37165720         -3.19119244

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.890953D-02      0.226458D-01      0.755381D-01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.118809D+03      0.176058D+02      0.195890D+02
   yx         0.212024D+00      0.314186D-01      0.349580D-01
   yy         0.149048D+03      0.220867D+02      0.245747D+02
   zx         0.359287D+00      0.532409D-01      0.592385D-01
   zy         0.987699D-02      0.146362D-02      0.162849D-02
   zz         0.150513D+03      0.223037D+02      0.248162D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143221D+03      0.212232D+02      0.236139D+02
   aniso      0.315373D+02      0.467335D+01      0.519981D+01
   xx         0.122218D+03      0.181109D+02      0.201511D+02
   yx         0.194930D+00      0.288856D-01      0.321395D-01
   yy         0.152995D+03      0.226715D+02      0.252254D+02
   zx         0.365817D+00      0.542084D-01      0.603150D-01
   zy         0.105897D-01      0.156924D-02      0.174601D-02
   zz         0.154450D+03      0.228871D+02      0.254653D+02

 ----------------------------------------------------------------------
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 SUCCESS IS NEVER CERTAIN,
 FAILURE IS NEVER FINAL.
 Job cpu time:       2 days 13 hours 32 minutes 30.2 seconds.
 Elapsed time:       0 days  3 hours 51 minutes  4.3 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 04:20:48 2021.
